N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide

C13H17FN2O — CID 63753788

IUPACN-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
SMILESNCC1(NC(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H17FN2O/c14-11-5-3-10(4-6-11)12(17)16-13(9-15)7-1-2-8-13/h3-6H,1-2,7-9,15H2,(H,16,17)
InChIKeyOQTBXZFBLSTNKA-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.83
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide

N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide (PubChem CID 63753788) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
PubChem CID63753788
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
SMILESNCC1(NC(=O)c2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H17FN2O/c14-11-5-3-10(4-6-11)12(17)16-13(9-15)7-1-2-8-13/h3-6H,1-2,7-9,15H2,(H,16,17)
InChIKeyOQTBXZFBLSTNKA-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[1-(aminomethyl)cyclohexyl]-4-tert-butylbenzamide
CID 63754595
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119567983
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzamide;hydrochloride
CID 119565325
N-[1-(aminomethyl)cyclopentyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 119567729

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide (CID 63753788) is N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide is NCC1(NC(=O)c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide?
The InChIKey is OQTBXZFBLSTNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-5-3-10(4-6-11)12(17)16-13(9-15)7-1-2-8-13/h3-6H,1-2,7-9,15H2,(H,16,17).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide?
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide has a molecular weight of 236.29 g/mol, XLogP of 1.83, 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]-4-fluorobenzamide is sourced from PubChem (CID 63753788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).