N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide

C14H18FNO — CID 55163457

IUPACN-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2CCCC2)ccc1F
InChIInChI=1S/C14H18FNO/c1-10-8-12(6-7-13(10)15)14(17)16-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17)
InChIKeyDXOOAXIJRYWBKS-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.05
Rot. Bonds3

About N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide

N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide (PubChem CID 55163457) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
PubChem CID55163457
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2CCCC2)ccc1F
InChIInChI=1S/C14H18FNO/c1-10-8-12(6-7-13(10)15)14(17)16-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17)
InChIKeyDXOOAXIJRYWBKS-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanone
CID 55096170
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
N-[2-(cyclopropylamino)ethyl]-4-fluoro-3-methylbenzamide;hydrochloride
CID 91659401
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide (CID 55163457) is N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCC2CCCC2)ccc1F.
What is the InChIKey of N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide?
The InChIKey is DXOOAXIJRYWBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-10-8-12(6-7-13(10)15)14(17)16-9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17).
What are the key properties of N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide?
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide has a molecular weight of 235.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 55163457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).