3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride

C17H26Cl2N2O — CID 119774339

IUPAC3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(Cc1ccccc1Cl)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-17(2,11-13-6-3-4-9-15(13)18)20-16(21)12-7-5-8-14(19)10-12;/h3-4,6,9,12,14H,5,7-8,10-11,19H2,1-2H3,(H,20,21);1H
InChIKeyFDMCSHVWVOXNST-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.72
Rot. Bonds4

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

3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119774339) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is 3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119774339
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)(Cc1ccccc1Cl)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-17(2,11-13-6-3-4-9-15(13)18)20-16(21)12-7-5-8-14(19)10-12;/h3-4,6,9,12,14H,5,7-8,10-11,19H2,1-2H3,(H,20,21);1H
InChIKeyFDMCSHVWVOXNST-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119774339) is 3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride is CC(C)(Cc1ccccc1Cl)NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FDMCSHVWVOXNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c1-17(2,11-13-6-3-4-9-15(13)18)20-16(21)12-7-5-8-14(19)10-12;/h3-4,6,9,12,14H,5,7-8,10-11,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 345.31 g/mol, XLogP of 3.72, 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-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119774339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).