1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C15H22BrClN2O — CID 119269431

IUPAC1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(N)CCCCC1)c1ccccc1Br.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11(12-7-3-4-8-13(12)16)18-14(19)15(17)9-5-2-6-10-15;/h3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H,18,19);1H
InChIKeyUCVIOASYEOYFCX-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.71
Rot. Bonds3

About 1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119269431) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119269431
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(N)CCCCC1)c1ccccc1Br.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11(12-7-3-4-8-13(12)16)18-14(19)15(17)9-5-2-6-10-15;/h3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H,18,19);1H
InChIKeyUCVIOASYEOYFCX-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119327113
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CID 81379420
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CID 119789718
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CID 9220068

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119269431) is 1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is CC(NC(=O)C1(N)CCCCC1)c1ccccc1Br.Cl.
What is the InChIKey of 1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is UCVIOASYEOYFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-11(12-7-3-4-8-13(12)16)18-14(19)15(17)9-5-2-6-10-15;/h3-4,7-8,11H,2,5-6,9-10,17H2,1H3,(H,18,19);1H.
What are the key properties of 1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119269431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).