1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide

C15H21ClN2O — CID 39058425

IUPAC1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-6-4-12(5-7-13)8-11-18-14(19)15(17)9-2-1-3-10-15/h4-7H,1-3,8-11,17H2,(H,18,19)
InChIKeyPEPXPYJLINLNLG-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.66
Rot. Bonds4

About 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide

1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 39058425) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID39058425
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-6-4-12(5-7-13)8-11-18-14(19)15(17)9-2-1-3-10-15/h4-7H,1-3,8-11,17H2,(H,18,19)
InChIKeyPEPXPYJLINLNLG-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 81172071
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1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
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1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
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1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
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N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119548194
1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
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1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
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ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate
CID 119338388
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CID 119317240

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide (CID 39058425) is 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide is NC1(C(=O)NCCc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is PEPXPYJLINLNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-13-6-4-12(5-7-13)8-11-18-14(19)15(17)9-2-1-3-10-15/h4-7H,1-3,8-11,17H2,(H,18,19).
What are the key properties of 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 39058425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).