N-cyclopentyl-4-fluoro-3-methoxybenzamide

C13H16FNO2 — CID 80948074

IUPACN-cyclopentyl-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C13H16FNO2/c1-17-12-8-9(6-7-11(12)14)13(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyYMWVTOYDOJNXGD-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.51
Rot. Bonds3

About N-cyclopentyl-4-fluoro-3-methoxybenzamide

N-cyclopentyl-4-fluoro-3-methoxybenzamide (PubChem CID 80948074) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-3-methoxybenzamide
PubChem CID80948074
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-cyclopentyl-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C13H16FNO2/c1-17-12-8-9(6-7-11(12)14)13(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyYMWVTOYDOJNXGD-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopentyl-4-iodo-3-methoxybenzamide
CID 155908716
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
trans-(1S,2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 124572084
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-cyclobutyl-4-iodo-3-methoxybenzamide
CID 155908714
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-cyclopentyl-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164199
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-cyclopentyl-4-fluoro-3-methoxybenzamide (CID 80948074) is N-cyclopentyl-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NC2CCCC2)ccc1F.
What is the InChIKey of N-cyclopentyl-4-fluoro-3-methoxybenzamide?
The InChIKey is YMWVTOYDOJNXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-12-8-9(6-7-11(12)14)13(16)15-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16).
What are the key properties of N-cyclopentyl-4-fluoro-3-methoxybenzamide?
N-cyclopentyl-4-fluoro-3-methoxybenzamide has a molecular weight of 237.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 80948074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).