3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide

C14H19FN2O — CID 119698450

IUPAC3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(N)C2)ccc1F
InChIInChI=1S/C14H19FN2O/c1-9-6-10(2-5-13(9)15)8-17-14(18)11-3-4-12(16)7-11/h2,5-6,11-12H,3-4,7-8,16H2,1H3,(H,17,18)
InChIKeyACQZKFVCVWEMCI-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.88
Rot. Bonds3

About 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 119698450) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID119698450
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1cc(CNC(=O)C2CCC(N)C2)ccc1F
InChIInChI=1S/C14H19FN2O/c1-9-6-10(2-5-13(9)15)8-17-14(18)11-3-4-12(16)7-11/h2,5-6,11-12H,3-4,7-8,16H2,1H3,(H,17,18)
InChIKeyACQZKFVCVWEMCI-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
(1S,3R,4R)-3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155496425
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886335
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119777508
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119767075
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119773406

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide (CID 119698450) is 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide is Cc1cc(CNC(=O)C2CCC(N)C2)ccc1F.
What is the InChIKey of 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is ACQZKFVCVWEMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-6-10(2-5-13(9)15)8-17-14(18)11-3-4-12(16)7-11/h2,5-6,11-12H,3-4,7-8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119698450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).