N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide

C14H19FN2O — CID 63754151

IUPACN-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CN)CCCC2)cc1F
InChIInChI=1S/C14H19FN2O/c1-10-4-5-11(8-12(10)15)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)
InChIKeyFSIROERUEOUBFC-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.14
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide

N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide (PubChem CID 63754151) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
PubChem CID63754151
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(CN)CCCC2)cc1F
InChIInChI=1S/C14H19FN2O/c1-10-4-5-11(8-12(10)15)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)
InChIKeyFSIROERUEOUBFC-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119567983
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzamide;hydrochloride
CID 119565325
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119565199
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide (CID 63754151) is N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC2(CN)CCCC2)cc1F.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide?
The InChIKey is FSIROERUEOUBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-4-5-11(8-12(10)15)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide?
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 63754151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).