3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13ClFNO3 — CID 81267596

IUPAC3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1cccc(Cl)c1F
InChIInChI=1S/C13H13ClFNO3/c14-10-3-1-2-9(11(10)15)12(17)16-8-5-4-7(6-8)13(18)19/h1-3,7-8H,4-6H2,(H,16,17)(H,18,19)
InChIKeyOISDALTWQSHDNS-UHFFFAOYSA-N
MW285.70 g/mol
LogP2.46
Rot. Bonds3

About 3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid

3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 81267596) has the molecular formula C13H13ClFNO3 and a molecular weight of 285.70 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID81267596
Molecular FormulaC13H13ClFNO3
Molecular Weight285.70 g/mol
Exact Mass285.06
IUPAC Name3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1cccc(Cl)c1F
InChIInChI=1S/C13H13ClFNO3/c14-10-3-1-2-9(11(10)15)12(17)16-8-5-4-7(6-8)13(18)19/h1-3,7-8H,4-6H2,(H,16,17)(H,18,19)
InChIKeyOISDALTWQSHDNS-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
cis-(1S,3R)-3-[(3-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676317
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
3-[(2-chloro-3-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81454437
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 104614148
cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 81267596) is 3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1cccc(Cl)c1F.
What is the InChIKey of 3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OISDALTWQSHDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO3/c14-10-3-1-2-9(11(10)15)12(17)16-8-5-4-7(6-8)13(18)19/h1-3,7-8H,4-6H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 285.70 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81267596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).