1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

C15H21FN2O — CID 81350015

IUPAC1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1(N)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-11(12-5-7-13(16)8-6-12)18-14(19)15(17)9-3-2-4-10-15/h5-8,11H,2-4,9-10,17H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyRTCBOZYCDZTKOJ-NSHDSACASA-N
MW264.34 g/mol
LogP2.66
Rot. Bonds3

About 1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 81350015) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID81350015
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC[C@H](NC(=O)C1(N)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-11(12-5-7-13(16)8-6-12)18-14(19)15(17)9-3-2-4-10-15/h5-8,11H,2-4,9-10,17H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyRTCBOZYCDZTKOJ-NSHDSACASA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119300704
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
1-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119280379
1-amino-N-[1-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 60866681
1-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1-carboxamide
CID 60852822
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119304099
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119303272
1-cyano-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 61459924
1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 114158937
1-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119333676
1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119850679

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 81350015) is 1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is C[C@H](NC(=O)C1(N)CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is RTCBOZYCDZTKOJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(12-5-7-13(16)8-6-12)18-14(19)15(17)9-3-2-4-10-15/h5-8,11H,2-4,9-10,17H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81350015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).