2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid

C16H13Cl2NO3 — CID 13059785

IUPAC2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c1-9(16(21)22)10-5-7-11(8-6-10)19-15(20)14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyJHIPEIGDBGCYGQ-UHFFFAOYSA-N
MW338.19 g/mol
LogP4.43
Rot. Bonds4

About 2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid

2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid (PubChem CID 13059785) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid
PubChem CID13059785
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H13Cl2NO3/c1-9(16(21)22)10-5-7-11(8-6-10)19-15(20)14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyJHIPEIGDBGCYGQ-UHFFFAOYSA-N
XLogP4.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
2,6-dichloro-N-(4-phenyldiazenylphenyl)benzamide
CID 3386476
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-[4-(carbamothioylamino)phenyl]propanoic acid
CID 87347956
(2S)-3-[4-[(2-chloro-6-methylbenzoyl)amino]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid
CID 54097884
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
2-chloro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 43508377
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide
CID 17311636
ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067849
2-chloro-6-methyl-N-pyridin-4-ylbenzamide
CID 59618146
N-[4-(butan-2-ylamino)phenyl]-2-chloro-6-fluorobenzamide
CID 112980490
methyl (2S)-2-amino-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;hydrochloride
CID 23383932

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid (CID 13059785) is 2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid is CC(C(=O)O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid?
The InChIKey is JHIPEIGDBGCYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-9(16(21)22)10-5-7-11(8-6-10)19-15(20)14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid?
2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid has a molecular weight of 338.19 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 13059785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).