N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide

C15H20FNO — CID 80711780

IUPACN-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C2CCCC2)c1F
InChIInChI=1S/C15H20FNO/c1-10-6-5-9-13(14(10)16)15(18)17-11(2)12-7-3-4-8-12/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyKBULZQZPJKRAOX-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.44
Rot. Bonds3

About N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide

N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide (PubChem CID 80711780) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
PubChem CID80711780
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C2CCCC2)c1F
InChIInChI=1S/C15H20FNO/c1-10-6-5-9-13(14(10)16)15(18)17-11(2)12-7-3-4-8-12/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyKBULZQZPJKRAOX-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
CID 82828967
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381268
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-[1-(4,4-difluorocyclohexyl)ethyl]-2-hydroxy-3-methylbenzamide
CID 138045628
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782
N-[(1R)-1-cyclohexylethyl]-2-(propan-2-ylamino)benzamide
CID 81389065
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide (CID 80711780) is N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C2CCCC2)c1F.
What is the InChIKey of N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide?
The InChIKey is KBULZQZPJKRAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10-6-5-9-13(14(10)16)15(18)17-11(2)12-7-3-4-8-12/h5-6,9,11-12H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide?
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide has a molecular weight of 249.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80711780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).