1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

C14H16FNO4 — CID 43351057

IUPAC1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1F
InChIInChI=1S/C14H16FNO4/c1-20-11-5-4-9(8-10(11)15)12(17)16-14(13(18)19)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyCNAALFJHUDBAHV-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.96
Rot. Bonds4

About 1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43351057) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43351057
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1F
InChIInChI=1S/C14H16FNO4/c1-20-11-5-4-9(8-10(11)15)12(17)16-14(13(18)19)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyCNAALFJHUDBAHV-UHFFFAOYSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 114303483
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
1-[[3-(3-chloro-2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoyl]amino]cyclohexane-1-carboxylic acid
CID 89094316
1-[[4-methoxy-3-(tetrazol-1-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120515028
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
1-[(4-methoxy-3-nitrobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81163964
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 43351057) is 1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is COc1ccc(C(=O)NC2(C(=O)O)CCCC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CNAALFJHUDBAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-11-5-4-9(8-10(11)15)12(17)16-14(13(18)19)6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).