2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

C14H15ClFNO3 — CID 82760189

IUPAC2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFNO3/c1-14(13(19)20)6-2-3-11(14)17-12(18)9-5-4-8(16)7-10(9)15/h4-5,7,11H,2-3,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyHEKZISJLIZHYOV-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.85
Rot. Bonds3

About 2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82760189) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82760189
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Name2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFNO3/c1-14(13(19)20)6-2-3-11(14)17-12(18)9-5-4-8(16)7-10(9)15/h4-5,7,11H,2-3,6H2,1H3,(H,17,18)(H,19,20)
InChIKeyHEKZISJLIZHYOV-UHFFFAOYSA-N
XLogP2.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 106860690
2-[(4-chloro-2,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82772593
2-[(5-fluoro-2-hydroxybenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211407
2-[(3,5-difluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760834
2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760270
2-[(2,4-dimethylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759945
2-[(2-hydroxy-4-methylbenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760031
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760107
2-[(2-hydroxy-4-methoxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765367
2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764528
2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211631
2-[(2-bromo-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83212180

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82760189) is 2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is HEKZISJLIZHYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c1-14(13(19)20)6-2-3-11(14)17-12(18)9-5-4-8(16)7-10(9)15/h4-5,7,11H,2-3,6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 299.73 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82760189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).