3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide

C15H21FN2O2 — CID 119774826

IUPAC3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCC(N)C2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-20-14-5-2-10(8-13(14)16)6-7-18-15(19)11-3-4-12(17)9-11/h2,5,8,11-12H,3-4,6-7,9,17H2,1H3,(H,18,19)
InChIKeyPOSYJIYNZFMFTO-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.62
Rot. Bonds5

About 3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide

3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 119774826) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID119774826
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCC(N)C2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-20-14-5-2-10(8-13(14)16)6-7-18-15(19)11-3-4-12(17)9-11/h2,5,8,11-12H,3-4,6-7,9,17H2,1H3,(H,18,19)
InChIKeyPOSYJIYNZFMFTO-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119774829
3-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119788200
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119767075
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119742372
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119774842
cis-(1S,3R)-3-amino-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 56918619
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide (CID 119774826) is 3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide is COc1ccc(CCNC(=O)C2CCC(N)C2)cc1F.
What is the InChIKey of 3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is POSYJIYNZFMFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-14-5-2-10(8-13(14)16)6-7-18-15(19)11-3-4-12(17)9-11/h2,5,8,11-12H,3-4,6-7,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119774826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).