2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid

C115H125Cl12F3N6O20 — CID 173183156

IUPAC2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid
SMILESCC(C)Nc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CCC(=O)O.CCC(C)Nc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CCCNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CCNc1cc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)cc(C(F)(F)F)c1.CCNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1
InChIInChI=1S/C20H23Cl2NO3.C19H18Cl2F3NO3.2C19H21Cl2NO3.C18H19Cl2NO3.C17H17Cl2NO3.C3H6O2/c1-4-12(2)23-16-7-5-6-14(8-16)11-26-19-17(21)9-15(10-18(19)22)13(3)20(24)25;1-3-25-14-5-11(4-13(8-14)19(22,23)24)9-28-17-15(20)6-12(7-16(17)21)10(2)18(26)27;1-11(2)22-15-6-4-5-13(7-15)10-25-18-16(20)8-14(9-17(18)21)12(3)19(23)24;1-3-7-22-15-6-4-5-13(8-15)11-25-18-16(20)9-14(10-17(18)21)12(2)19(23)24;1-3-21-14-6-4-5-12(7-14)10-24-17-15(19)8-13(9-16(17)20)11(2)18(22)23;1-10(17(21)22)12-7-14(18)16(15(19)8-12)23-9-11-4-3-5-13(6-11)20-2;1-2-3(4)5/h5-10,12-13,23H,4,11H2,1-3H3,(H,24,25);4-8,10,25H,3,9H2,1-2H3,(H,26,27);4-9,11-12,22H,10H2,1-3H3,(H,23,24);4-6,8-10,12,22H,3,7,11H2,1-2H3,(H,23,24);4-9,11,21H,3,10H2,1-2H3,(H,22,23);3-8,10,20H,9H2,1-2H3,(H,21,22);2H2,1H3,(H,4,5)
InChIKeySMPCMZVELDUKPC-UHFFFAOYSA-N
MW2393.72 g/mol
LogP33.82
Rot. Bonds44

About 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid

2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid (PubChem CID 173183156) has the molecular formula C115H125Cl12F3N6O20 and a molecular weight of 2393.72 g/mol. Its IUPAC name is 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid.

Molecular Properties

Compound Name2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid
PubChem CID173183156
Molecular FormulaC115H125Cl12F3N6O20
Molecular Weight2393.72 g/mol
Exact Mass2386.52
IUPAC Name2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid
SMILESCC(C)Nc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CCC(=O)O.CCC(C)Nc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CCCNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CCNc1cc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)cc(C(F)(F)F)c1.CCNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1
InChIInChI=1S/C20H23Cl2NO3.C19H18Cl2F3NO3.2C19H21Cl2NO3.C18H19Cl2NO3.C17H17Cl2NO3.C3H6O2/c1-4-12(2)23-16-7-5-6-14(8-16)11-26-19-17(21)9-15(10-18(19)22)13(3)20(24)25;1-3-25-14-5-11(4-13(8-14)19(22,23)24)9-28-17-15(20)6-12(7-16(17)21)10(2)18(26)27;1-11(2)22-15-6-4-5-13(7-15)10-25-18-16(20)8-14(9-17(18)21)12(3)19(23)24;1-3-7-22-15-6-4-5-13(8-15)11-25-18-16(20)9-14(10-17(18)21)12(2)19(23)24;1-3-21-14-6-4-5-12(7-14)10-24-17-15(19)8-13(9-16(17)20)11(2)18(22)23;1-10(17(21)22)12-7-14(18)16(15(19)8-12)23-9-11-4-3-5-13(6-11)20-2;1-2-3(4)5/h5-10,12-13,23H,4,11H2,1-3H3,(H,24,25);4-8,10,25H,3,9H2,1-2H3,(H,26,27);4-9,11-12,22H,10H2,1-3H3,(H,23,24);4-6,8-10,12,22H,3,7,11H2,1-2H3,(H,23,24);4-9,11,21H,3,10H2,1-2H3,(H,22,23);3-8,10,20H,9H2,1-2H3,(H,21,22);2H2,1H3,(H,4,5)
InChIKeySMPCMZVELDUKPC-UHFFFAOYSA-N
XLogP33.82
TPSA388.66 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002393.72
LogP ≤ 533.82
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Analyze 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid with MolForge

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Related Compounds

2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid
CID 173183157
2-[[4-[[3-(butan-2-ylamino)-5-(trifluoromethyl)phenyl]methoxy]-3,5-dichlorobenzoyl]amino]acetic acid
CID 69246563
3-[4-[(3-aminophenyl)methoxy]-3,5-dichlorophenyl]propanoic acid;3-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;3-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid
CID 158426191
2-[[3,5-dichloro-4-[[3-(methylamino)-5-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246007
2-[4-[[3-acetamido-5-(trifluoromethyl)phenyl]methoxy]-3,5-dichlorophenyl]acetic acid
CID 69314424
3-[3,5-dimethyl-4-[[3-(propylamino)-5-(trifluoromethyl)phenyl]methoxy]anilino]-3-oxopropanoic acid
CID 69244869
3-[3,5-dibromo-4-[[3-chloro-5-(propylamino)phenyl]methoxy]phenyl]-2-fluoropropanoic acid;3-[3,5-dibromo-4-[[3-methyl-5-(propylamino)phenyl]methoxy]phenyl]-2-fluoropropanoic acid;3-[3,5-dibromo-4-[[3-methyl-5-(propylamino)phenyl]methoxy]phenyl]propanoic acid;3-[3,5-dibromo-4-[[3-(propylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]-2-fluoropropanoic acid;3-[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]phenyl]-2-fluoropropanoic acid;3-[3,5-dichloro-4-[[3-methyl-5-(propylamino)phenyl]methoxy]phenyl]-2-fluoropropanoic acid;3-[3,5-dichloro-4-[[3-(propylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]-2-fluoropropanoic acid
CID 173183167
3-[4-[(3-aminophenyl)methoxy]-3,5-dichlorophenyl]propanoic acid;3-[3,5-dibromo-4-[[3-(cyclohexylmethylamino)phenyl]methoxy]phenyl]propanoic acid;3-[3,5-dibromo-4-[[3-(2-methylpropylamino)phenyl]methoxy]phenyl]propanoic acid;3-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;3-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid
CID 173183141
3-[3,5-dichloro-4-[[3-(2-methylpropanoylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]-2-fluoropropanoic acid
CID 87781270
3-[3,5-dibromo-4-[[3-(propylamino)-5-(trifluoromethyl)phenyl]methoxy]anilino]-3-oxopropanoic acid;3-[3,5-dimethyl-4-[[3-(propylamino)-5-(trifluoromethyl)phenyl]methoxy]anilino]-3-oxopropanoic acid
CID 87883363
[2-[3,5-dibromo-4-[[3-methyl-5-(propan-2-ylamino)phenyl]methoxy]phenyl]acetyl] 3-[3,5-dichloro-4-[[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]methoxy]anilino]-3-oxopropanoate
CID 87883431
2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246199

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid?
The IUPAC name of 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid (CID 173183156) is 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid.
What is the SMILES notation for 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid?
The canonical SMILES for 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid is CC(C)Nc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CCC(=O)O.CCC(C)Nc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CCCNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CCNc1cc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)cc(C(F)(F)F)c1.CCNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.CNc1cccc(COc2c(Cl)cc(C(C)C(=O)O)cc2Cl)c1.
What is the InChIKey of 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid?
The InChIKey is SMPCMZVELDUKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3.C19H18Cl2F3NO3.2C19H21Cl2NO3.C18H19Cl2NO3.C17H17Cl2NO3.C3H6O2/c1-4-12(2)23-16-7-5-6-14(8-16)11-26-19-17(21)9-15(10-18(19)22)13(3)20(24)25;1-3-25-14-5-11(4-13(8-14)19(22,23)24)9-28-17-15(20)6-12(7-16(17)21)10(2)18(26)27;1-11(2)22-15-6-4-5-13(7-15)10-25-18-16(20)8-14(9-17(18)21)12(3)19(23)24;1-3-7-22-15-6-4-5-13(8-15)11-25-18-16(20)9-14(10-17(18)21)12(2)19(23)24;1-3-21-14-6-4-5-12(7-14)10-24-17-15(19)8-13(9-16(17)20)11(2)18(22)23;1-10(17(21)22)12-7-14(18)16(15(19)8-12)23-9-11-4-3-5-13(6-11)20-2;1-2-3(4)5/h5-10,12-13,23H,4,11H2,1-3H3,(H,24,25);4-8,10,25H,3,9H2,1-2H3,(H,26,27);4-9,11-12,22H,10H2,1-3H3,(H,23,24);4-6,8-10,12,22H,3,7,11H2,1-2H3,(H,23,24);4-9,11,21H,3,10H2,1-2H3,(H,22,23);3-8,10,20H,9H2,1-2H3,(H,21,22);2H2,1H3,(H,4,5).
What are the key properties of 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid?
2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid has a molecular weight of 2393.72 g/mol, XLogP of 33.82, 44 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(butan-2-ylamino)phenyl]methoxy]-3,5-dichlorophenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(methylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propan-2-ylamino)phenyl]methoxy]phenyl]propanoic acid;2-[3,5-dichloro-4-[[3-(propylamino)phenyl]methoxy]phenyl]propanoic acid;propanoic acid is sourced from PubChem (CID 173183156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).