N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide

C14H19FN2O — CID 113265788

IUPACN-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NC2CCCC2CN)c1
InChIInChI=1S/C14H19FN2O/c1-9-5-11(7-12(15)6-9)14(18)17-13-4-2-3-10(13)8-16/h5-7,10,13H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyKAKOCKWPGFATMI-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.99
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide

N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide (PubChem CID 113265788) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
PubChem CID113265788
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NC2CCCC2CN)c1
InChIInChI=1S/C14H19FN2O/c1-9-5-11(7-12(15)6-9)14(18)17-13-4-2-3-10(13)8-16/h5-7,10,13H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyKAKOCKWPGFATMI-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
CID 82816320
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
CID 119602942
3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115923955
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide (CID 113265788) is N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)NC2CCCC2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide?
The InChIKey is KAKOCKWPGFATMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-5-11(7-12(15)6-9)14(18)17-13-4-2-3-10(13)8-16/h5-7,10,13H,2-4,8,16H2,1H3,(H,17,18).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide?
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 113265788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).