2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H13F2NO3 — CID 64813271

IUPAC2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2NO3/c14-7-4-5-10(15)9(6-7)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3H2,(H,16,17)(H,18,19)
InChIKeySQCKLIFBMJAJRT-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.95
Rot. Bonds3

About 2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid

2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64813271) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64813271
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2NO3/c14-7-4-5-10(15)9(6-7)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3H2,(H,16,17)(H,18,19)
InChIKeySQCKLIFBMJAJRT-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-(2-hydroxycyclopentyl)benzamide
CID 43835745
2-[(2-fluoro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64814525
4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66220763
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532977
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 124572084
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
2-[(4-chloro-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813698
N-(2-aminocyclopentyl)-2,4-difluorobenzamide
CID 55169899

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 64813271) is 2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is SQCKLIFBMJAJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c14-7-4-5-10(15)9(6-7)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 269.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).