2-[(3-chlorobenzoyl)-methylamino]benzoic acid

C15H12ClNO3 — CID 16771040

IUPAC2-[(3-chlorobenzoyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1cccc(Cl)c1)c1ccccc1C(=O)O
InChIInChI=1S/C15H12ClNO3/c1-17(13-8-3-2-7-12(13)15(19)20)14(18)10-5-4-6-11(16)9-10/h2-9H,1H3,(H,19,20)
InChIKeyCEHQYCVEVMRQKT-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.31
Rot. Bonds3

About 2-[(3-chlorobenzoyl)-methylamino]benzoic acid

2-[(3-chlorobenzoyl)-methylamino]benzoic acid (PubChem CID 16771040) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)-methylamino]benzoic acid
PubChem CID16771040
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name2-[(3-chlorobenzoyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1cccc(Cl)c1)c1ccccc1C(=O)O
InChIInChI=1S/C15H12ClNO3/c1-17(13-8-3-2-7-12(13)15(19)20)14(18)10-5-4-6-11(16)9-10/h2-9H,1H3,(H,19,20)
InChIKeyCEHQYCVEVMRQKT-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methylbenzoyl)-methylamino]benzoic acid
CID 82877765
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080
2-[(2-chloro-3-fluorobenzoyl)-methylamino]benzoic acid
CID 81454401
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
benzoic acid;3-chlorobenzoic acid
CID 162034638
2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
CID 62514246
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylbenzamide
CID 28755656
3-chloro-N-hydroxy-N-phenylbenzamide
CID 73332862
3-bromo-N-(2-carbamothioylphenyl)-5-chloro-N-methylbenzamide
CID 107939056
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)-methylamino]benzoic acid?
The IUPAC name of 2-[(3-chlorobenzoyl)-methylamino]benzoic acid (CID 16771040) is 2-[(3-chlorobenzoyl)-methylamino]benzoic acid.
What is the SMILES notation for 2-[(3-chlorobenzoyl)-methylamino]benzoic acid?
The canonical SMILES for 2-[(3-chlorobenzoyl)-methylamino]benzoic acid is CN(C(=O)c1cccc(Cl)c1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(3-chlorobenzoyl)-methylamino]benzoic acid?
The InChIKey is CEHQYCVEVMRQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-17(13-8-3-2-7-12(13)15(19)20)14(18)10-5-4-6-11(16)9-10/h2-9H,1H3,(H,19,20).
What are the key properties of 2-[(3-chlorobenzoyl)-methylamino]benzoic acid?
2-[(3-chlorobenzoyl)-methylamino]benzoic acid has a molecular weight of 289.72 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)-methylamino]benzoic acid is sourced from PubChem (CID 16771040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).