2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid

C19H19Cl2FN2O4 — CID 69246276

IUPAC2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
SMILESCCCNc1cccc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1F
InChIInChI=1S/C19H19Cl2FN2O4/c1-2-6-23-15-5-3-4-11(17(15)22)10-28-18-13(20)7-12(8-14(18)21)19(27)24-9-16(25)26/h3-5,7-8,23H,2,6,9-10H2,1H3,(H,24,27)(H,25,26)
InChIKeyYKOJWBDQQLVYHZ-UHFFFAOYSA-N
MW429.28 g/mol
LogP4.35
Rot. Bonds9

About 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid

2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid (PubChem CID 69246276) has the molecular formula C19H19Cl2FN2O4 and a molecular weight of 429.28 g/mol. Its IUPAC name is 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
PubChem CID69246276
Molecular FormulaC19H19Cl2FN2O4
Molecular Weight429.28 g/mol
Exact Mass428.07
IUPAC Name2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
SMILESCCCNc1cccc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1F
InChIInChI=1S/C19H19Cl2FN2O4/c1-2-6-23-15-5-3-4-11(17(15)22)10-28-18-13(20)7-12(8-14(18)21)19(27)24-9-16(25)26/h3-5,7-8,23H,2,6,9-10H2,1H3,(H,24,27)(H,25,26)
InChIKeyYKOJWBDQQLVYHZ-UHFFFAOYSA-N
XLogP4.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid with MolForge

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Related Compounds

2-[[3,5-dichloro-4-[[3-(ethylsulfonylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid
CID 91091914
2-[[3,5-dichloro-4-[[5-chloro-2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[5-chloro-2-fluoro-3-(propylamino)phenyl]methoxy]phenyl]acetic acid
CID 87883491
2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid
CID 69252320
2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246199
2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]phenyl]acetic acid
CID 87883377
2-[[3,5-dichloro-4-[[2-fluoro-5-methyl-3-(propanoylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69317451
2-[[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]phenyl]acetic acid
CID 159931636
2-[[3,5-dichloro-4-[[2-fluoro-5-methyl-3-(2-methylpropanoylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-fluoro-5-methyl-3-(2-methylpropanoylamino)phenyl]methoxy]phenyl]acetic acid
CID 87884463
2-[[3,5-dibromo-4-[[2-chloro-3-(ethylsulfonylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[[3,5-dibromo-4-[[3-(ethylsulfonylamino)-2-fluoro-5-methylphenyl]methoxy]benzoyl]amino]acetic acid;2-[[3,5-dibromo-4-[[3-(ethylsulfonylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid;3-[3,5-dichloro-4-[[2-chloro-3-(ethylsulfonylamino)phenyl]methoxy]phenyl]propanoic acid;3-[3,5-dichloro-4-[[3-(ethylsulfonylamino)-2-fluoro-5-methylphenyl]methoxy]phenyl]propanoic acid
CID 173183309
2-[[3,5-dichloro-4-[[3-(ethylsulfonylamino)-5-fluorophenyl]methoxy]benzoyl]amino]acetic acid
CID 87884372
2-[[3,5-dibromo-4-[[2-chloro-3-(cyclopropylmethylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246538
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid (CID 69246276) is 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid is CCCNc1cccc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1F.
What is the InChIKey of 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid?
The InChIKey is YKOJWBDQQLVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O4/c1-2-6-23-15-5-3-4-11(17(15)22)10-28-18-13(20)7-12(8-14(18)21)19(27)24-9-16(25)26/h3-5,7-8,23H,2,6,9-10H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid?
2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid has a molecular weight of 429.28 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid is sourced from PubChem (CID 69246276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).