2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide

C13H17BrN2O — CID 64816780

IUPAC2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h5-8,11-12H,1-4,15H2,(H,16,17)
InChIKeyLHBYPMWWIHCFRC-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.91
Rot. Bonds2

About 2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide

2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide (PubChem CID 64816780) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
PubChem CID64816780
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCCC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h5-8,11-12H,1-4,15H2,(H,16,17)
InChIKeyLHBYPMWWIHCFRC-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823317
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
2-amino-N-(4-cyclopentyloxyphenyl)cyclopentane-1-carboxamide
CID 64824128
2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823135
2-amino-N-[4-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 64823318
2-amino-N-(5-bromo-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64824097
2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide
CID 64825039

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide (CID 64816780) is 2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide is NC1CCCCC1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide?
The InChIKey is LHBYPMWWIHCFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)15/h5-8,11-12H,1-4,15H2,(H,16,17).
What are the key properties of 2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide?
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64816780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).