4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid

C15H11Cl2NO3 — CID 104698174

IUPAC4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1cccc(Cl)c1Cl)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H11Cl2NO3/c1-18(10-7-5-9(6-8-10)15(20)21)14(19)11-3-2-4-12(16)13(11)17/h2-8H,1H3,(H,20,21)
InChIKeyYDVUCCALZRNIFC-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.97
Rot. Bonds3

About 4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid

4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid (PubChem CID 104698174) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is 4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid
PubChem CID104698174
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1cccc(Cl)c1Cl)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H11Cl2NO3/c1-18(10-7-5-9(6-8-10)15(20)21)14(19)11-3-2-4-12(16)13(11)17/h2-8H,1H3,(H,20,21)
InChIKeyYDVUCCALZRNIFC-UHFFFAOYSA-N
XLogP3.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
4-[(4-chloro-3-methylbenzoyl)-methylamino]benzoic acid
CID 104698206
4-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]benzoic acid
CID 104698148
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049517
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
4-[methyl(phenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 4915032
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
CID 44726898
3-amino-4-[(2-chlorobenzoyl)-methylamino]benzoic acid
CID 63117055
4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 104697982
4-[(4-ethylphenyl)-methylcarbamoyl]benzoic acid
CID 62004416
methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate
CID 37417321

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid?
The IUPAC name of 4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid (CID 104698174) is 4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid.
What is the SMILES notation for 4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid?
The canonical SMILES for 4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid is CN(C(=O)c1cccc(Cl)c1Cl)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid?
The InChIKey is YDVUCCALZRNIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c1-18(10-7-5-9(6-8-10)15(20)21)14(19)11-3-2-4-12(16)13(11)17/h2-8H,1H3,(H,20,21).
What are the key properties of 4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid?
4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid has a molecular weight of 324.16 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorobenzoyl)-methylamino]benzoic acid is sourced from PubChem (CID 104698174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).