1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide

C15H21FN2O — CID 119297970

IUPAC1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)C1(N)CCCC1
InChIInChI=1S/C15H21FN2O/c1-18(14(19)15(17)9-2-3-10-15)11-8-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11,17H2,1H3
InChIKeyCALCBWHNLLQVRW-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.10
Rot. Bonds4

About 1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide

1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 119297970) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID119297970
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)C1(N)CCCC1
InChIInChI=1S/C15H21FN2O/c1-18(14(19)15(17)9-2-3-10-15)11-8-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11,17H2,1H3
InChIKeyCALCBWHNLLQVRW-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 54871932
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 120926401
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120926400
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
1-amino-N-[2-(2,5-difluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190020
3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide
CID 115185772
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352
1-amino-N-(4-fluorophenyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119292825
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119278393

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide (CID 119297970) is 1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide is CN(CCc1ccc(F)cc1)C(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is CALCBWHNLLQVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-18(14(19)15(17)9-2-3-10-15)11-8-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11,17H2,1H3.
What are the key properties of 1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 119297970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).