1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13F2NO3 — CID 43162964

IUPAC1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO3/c14-8-4-3-5-9(15)10(8)11(17)16-13(12(18)19)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,16,17)(H,18,19)
InChIKeyVFNUGZLFSRZPCL-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.09
Rot. Bonds3

About 1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid

1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43162964) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43162964
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO3/c14-8-4-3-5-9(15)10(8)11(17)16-13(12(18)19)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,16,17)(H,18,19)
InChIKeyVFNUGZLFSRZPCL-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43163129
1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119168017
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
2-bromo-6-fluoro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]benzamide
CID 114560764
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43329574

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 43162964) is 1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VFNUGZLFSRZPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c14-8-4-3-5-9(15)10(8)11(17)16-13(12(18)19)6-1-2-7-13/h3-5H,1-2,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 269.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43162964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).