3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide

C13H16F2N2O — CID 66009834

IUPAC3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H16F2N2O/c14-11-4-1-8(5-12(11)15)7-17-13(18)9-2-3-10(16)6-9/h1,4-5,9-10H,2-3,6-7,16H2,(H,17,18)
InChIKeyMYKJBOAQUDWRAS-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 66009834) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID66009834
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H16F2N2O/c14-11-4-1-8(5-12(11)15)7-17-13(18)9-2-3-10(16)6-9/h1,4-5,9-10H,2-3,6-7,16H2,(H,17,18)
InChIKeyMYKJBOAQUDWRAS-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886335
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119777508
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-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide (CID 66009834) is 3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCc2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is MYKJBOAQUDWRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-11-4-1-8(5-12(11)15)7-17-13(18)9-2-3-10(16)6-9/h1,4-5,9-10H,2-3,6-7,16H2,(H,17,18).
What are the key properties of 3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66009834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).