2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid

C15H18FNO4 — CID 64672188

IUPAC2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
SMILESCOc1ccc(C(=O)NC2(CC(=O)O)CCCC2)cc1F
InChIInChI=1S/C15H18FNO4/c1-21-12-5-4-10(8-11(12)16)14(20)17-15(9-13(18)19)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyOSPHWZBNOLWBNN-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.35
Rot. Bonds5

About 2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid

2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid (PubChem CID 64672188) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
PubChem CID64672188
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
SMILESCOc1ccc(C(=O)NC2(CC(=O)O)CCCC2)cc1F
InChIInChI=1S/C15H18FNO4/c1-21-12-5-4-10(8-11(12)16)14(20)17-15(9-13(18)19)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyOSPHWZBNOLWBNN-UHFFFAOYSA-N
XLogP2.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 114303483
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 65433607
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid (CID 64672188) is 2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid is COc1ccc(C(=O)NC2(CC(=O)O)CCCC2)cc1F.
What is the InChIKey of 2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid?
The InChIKey is OSPHWZBNOLWBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-12-5-4-10(8-11(12)16)14(20)17-15(9-13(18)19)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid?
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64672188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).