2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid

C16H15ClN2O3 — CID 50781021

IUPAC2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid
SMILESCN(C)c1ccc(NC(=O)c2ccccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C16H15ClN2O3/c1-19(2)10-7-8-14(12(9-10)16(21)22)18-15(20)11-5-3-4-6-13(11)17/h3-9H,1-2H3,(H,18,20)(H,21,22)
InChIKeyRIQPMRLOVLMFRB-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.36
Rot. Bonds4

About 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid

2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid (PubChem CID 50781021) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid
PubChem CID50781021
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid
SMILESCN(C)c1ccc(NC(=O)c2ccccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C16H15ClN2O3/c1-19(2)10-7-8-14(12(9-10)16(21)22)18-15(20)11-5-3-4-6-13(11)17/h3-9H,1-2H3,(H,18,20)(H,21,22)
InChIKeyRIQPMRLOVLMFRB-UHFFFAOYSA-N
XLogP3.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 63115639
2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid
CID 50782758
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid
CID 50782899
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
N-[2-acetyl-4-(dimethylamino)phenyl]acetamide
CID 15087824
5-(dimethylamino)-2-(pentanoylamino)benzoic acid
CID 50782826
5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
CID 81265567
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
5-chloro-N-[2-chloro-4-(dimethylamino)phenyl]-2-hydroxybenzamide
CID 162658546

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid (CID 50781021) is 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid is CN(C)c1ccc(NC(=O)c2ccccc2Cl)c(C(=O)O)c1.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid?
The InChIKey is RIQPMRLOVLMFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-19(2)10-7-8-14(12(9-10)16(21)22)18-15(20)11-5-3-4-6-13(11)17/h3-9H,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid?
2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid has a molecular weight of 318.76 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid is sourced from PubChem (CID 50781021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).