4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid

C12H12ClNO3 — CID 24688502

IUPAC4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
SMILESCC1CC1C(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C12H12ClNO3/c1-6-4-8(6)11(15)14-10-5-7(12(16)17)2-3-9(10)13/h2-3,5-6,8H,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyGDQGTRIJSKBIBZ-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.63
Rot. Bonds3

About 4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid

4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid (PubChem CID 24688502) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
PubChem CID24688502
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
SMILESCC1CC1C(=O)Nc1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C12H12ClNO3/c1-6-4-8(6)11(15)14-10-5-7(12(16)17)2-3-9(10)13/h2-3,5-6,8H,4H2,1H3,(H,14,15)(H,16,17)
InChIKeyGDQGTRIJSKBIBZ-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-methyl-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-phenylbenzamide
CID 95773774
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4-chloro-3-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
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5-[(2-methylcyclopropanecarbonyl)amino]benzene-1,3-dicarboxylic acid
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5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 43406220
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide
CID 63715613
N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide
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2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
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3-(adamantane-1-carbonylamino)-4-chlorobenzoic acid
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4-chloro-3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid (CID 24688502) is 4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid is CC1CC1C(=O)Nc1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
The InChIKey is GDQGTRIJSKBIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-6-4-8(6)11(15)14-10-5-7(12(16)17)2-3-9(10)13/h2-3,5-6,8H,4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid has a molecular weight of 253.68 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 24688502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).