3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride

C16H24ClFN2O — CID 119722765

IUPAC3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(Cc1ccccc1F)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-11(9-12-5-2-3-8-15(12)17)19-16(20)13-6-4-7-14(18)10-13;/h2-3,5,8,11,13-14H,4,6-7,9-10,18H2,1H3,(H,19,20);1H
InChIKeyOAYLBHCENCTNGK-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.81
Rot. Bonds4

About 3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119722765) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119722765
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(Cc1ccccc1F)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-11(9-12-5-2-3-8-15(12)17)19-16(20)13-6-4-7-14(18)10-13;/h2-3,5,8,11,13-14H,4,6-7,9-10,18H2,1H3,(H,19,20);1H
InChIKeyOAYLBHCENCTNGK-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
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CID 119779219
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
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cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 63044483
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
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3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
N-[1-(2-fluorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119722793
(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
CID 70064214

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119722765) is 3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride is CC(Cc1ccccc1F)NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OAYLBHCENCTNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-11(9-12-5-2-3-8-15(12)17)19-16(20)13-6-4-7-14(18)10-13;/h2-3,5,8,11,13-14H,4,6-7,9-10,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119722765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).