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

C15H21FN2O — CID 81349509

IUPAC3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-10(11-5-7-13(16)8-6-11)18-15(19)12-3-2-4-14(17)9-12/h5-8,10,12,14H,2-4,9,17H2,1H3,(H,18,19)/t10-,12?,14?/m1/s1
InChIKeyREFVJHQCXBKCTD-PWQPVHBWSA-N
MW264.34 g/mol
LogP2.52
Rot. Bonds3

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

3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 81349509) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID81349509
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESC[C@@H](NC(=O)C1CCCC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-10(11-5-7-13(16)8-6-11)18-15(19)12-3-2-4-14(17)9-12/h5-8,10,12,14H,2-4,9,17H2,1H3,(H,18,19)/t10-,12?,14?/m1/s1
InChIKeyREFVJHQCXBKCTD-PWQPVHBWSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783147
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 63043413
3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119895790
3-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119691302
ethyl 3-[(3-aminocyclohexanecarbonyl)amino]-3-(4-fluorophenyl)propanoate;hydrochloride
CID 119755345
3-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119699854
3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119688683
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775064
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119720260
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 81349509) is 3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is C[C@@H](NC(=O)C1CCCC(N)C1)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is REFVJHQCXBKCTD-PWQPVHBWSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10(11-5-7-13(16)8-6-11)18-15(19)12-3-2-4-14(17)9-12/h5-8,10,12,14H,2-4,9,17H2,1H3,(H,18,19)/t10-,12?,14?/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 81349509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).