3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide

C14H19FN2O — CID 55146737

IUPAC3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O/c15-12-6-4-10(5-7-12)9-17-14(18)11-2-1-3-13(16)8-11/h4-7,11,13H,1-3,8-9,16H2,(H,17,18)
InChIKeyUXIRAFJIJQIFFM-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.96
Rot. Bonds3

About 3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide

3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 55146737) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID55146737
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C14H19FN2O/c15-12-6-4-10(5-7-12)9-17-14(18)11-2-1-3-13(16)8-11/h4-7,11,13H,1-3,8-9,16H2,(H,17,18)
InChIKeyUXIRAFJIJQIFFM-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689646
3-amino-N-[(4-nitrophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119708431
3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119778405
3-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119777508
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride
CID 119782980
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119862617

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide (CID 55146737) is 3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of 3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is UXIRAFJIJQIFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-6-4-10(5-7-12)9-17-14(18)11-2-1-3-13(16)8-11/h4-7,11,13H,1-3,8-9,16H2,(H,17,18).
What are the key properties of 3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.96, 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-fluorophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55146737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).