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

C19H19Cl3N2O4 — CID 69246199

IUPAC2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
SMILESCCCNc1cc(Cl)cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1
InChIInChI=1S/C19H19Cl3N2O4/c1-2-3-23-14-5-11(4-13(20)8-14)10-28-18-15(21)6-12(7-16(18)22)19(27)24-9-17(25)26/h4-8,23H,2-3,9-10H2,1H3,(H,24,27)(H,25,26)
InChIKeyKSBAUPXYTQTCSW-UHFFFAOYSA-N
MW445.73 g/mol
LogP4.86
Rot. Bonds9

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

2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid (PubChem CID 69246199) has the molecular formula C19H19Cl3N2O4 and a molecular weight of 445.73 g/mol. Its IUPAC name is 2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
PubChem CID69246199
Molecular FormulaC19H19Cl3N2O4
Molecular Weight445.73 g/mol
Exact Mass444.04
IUPAC Name2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
SMILESCCCNc1cc(Cl)cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1
InChIInChI=1S/C19H19Cl3N2O4/c1-2-3-23-14-5-11(4-13(20)8-14)10-28-18-15(21)6-12(7-16(18)22)19(27)24-9-17(25)26/h4-8,23H,2-3,9-10H2,1H3,(H,24,27)(H,25,26)
InChIKeyKSBAUPXYTQTCSW-UHFFFAOYSA-N
XLogP4.86
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.73
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

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-[[3-chloro-5-(ethylamino)phenyl]methoxy]benzoyl]amino]acetyl] 2-[3,5-dichloro-4-[[3-chloro-5-(ethylamino)phenyl]methoxy]phenyl]acetate
CID 87883333
[2-[[3,5-dichloro-4-[[3-methyl-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetyl] 2-[3,5-dichloro-4-[[3-methyl-5-(propylamino)phenyl]methoxy]phenyl]acetate
CID 87883401
2-[[3,5-dichloro-4-[[3-(ethylsulfonylamino)-5-fluorophenyl]methoxy]benzoyl]amino]acetic acid
CID 87884372
2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246276
2-[[3,5-dichloro-4-[[3-(methylamino)-5-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246007
2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid
CID 69252320
2-[[4-[(3-amino-5-methylphenyl)methoxy]-3,5-dichlorobenzoyl]amino]acetic acid
CID 69078952
2-[[4-[[3-(butan-2-ylamino)-5-methylphenyl]methoxy]-3,5-dichlorobenzoyl]amino]acetic acid
CID 69245899
2-[3,5-dibromo-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]acetic acid;2-[[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]acetic acid
CID 160735559
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-[[4-[[3-(butan-2-ylamino)-5-(trifluoromethyl)phenyl]methoxy]-3,5-dichlorobenzoyl]amino]acetic acid
CID 69246563

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid (CID 69246199) is 2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid is CCCNc1cc(Cl)cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1.
What is the InChIKey of 2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid?
The InChIKey is KSBAUPXYTQTCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O4/c1-2-3-23-14-5-11(4-13(20)8-14)10-28-18-15(21)6-12(7-16(18)22)19(27)24-9-17(25)26/h4-8,23H,2-3,9-10H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid?
2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid has a molecular weight of 445.73 g/mol, XLogP of 4.86, 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-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid is sourced from PubChem (CID 69246199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).