4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid

C15H12ClNO4 — CID 107095827

IUPAC4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C15H12ClNO4/c1-8-10(3-2-4-12(8)16)14(19)17-9-5-6-11(15(20)21)13(18)7-9/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyADCDFNIYKMTYOP-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.30
Rot. Bonds3

About 4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid

4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 107095827) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID107095827
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
SMILESCc1c(Cl)cccc1C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C15H12ClNO4/c1-8-10(3-2-4-12(8)16)14(19)17-9-5-6-11(15(20)21)13(18)7-9/h2-7,18H,1H3,(H,17,19)(H,20,21)
InChIKeyADCDFNIYKMTYOP-UHFFFAOYSA-N
XLogP3.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
4-[(5-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 82877635
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087
5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107096027
4-[(3-chloro-4-methyl-5-propan-2-yloxybenzoyl)amino]-2-hydroxybenzoic acid
CID 67977754
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid (CID 107095827) is 4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid is Cc1c(Cl)cccc1C(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is ADCDFNIYKMTYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-8-10(3-2-4-12(8)16)14(19)17-9-5-6-11(15(20)21)13(18)7-9/h2-7,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid?
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 305.72 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 107095827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).