4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide

C14H19BrN2O — CID 55201939

IUPAC4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(N)CC2)cc1Br
InChIInChI=1S/C14H19BrN2O/c1-9-2-7-12(8-13(9)15)17-14(18)10-3-5-11(16)6-4-10/h2,7-8,10-11H,3-6,16H2,1H3,(H,17,18)
InChIKeyGENLBXJBNOCPQO-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.21
Rot. Bonds2

About 4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide

4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 55201939) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID55201939
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(N)CC2)cc1Br
InChIInChI=1S/C14H19BrN2O/c1-9-2-7-12(8-13(9)15)17-14(18)10-3-5-11(16)6-4-10/h2,7-8,10-11H,3-6,16H2,1H3,(H,17,18)
InChIKeyGENLBXJBNOCPQO-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4509550
2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide
CID 64825039
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 113007435
4-amino-N-(3,4-difluorophenyl)cyclohexane-1-carboxamide
CID 60847397
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 1013445
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119771531
3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
CID 115377268
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 46809533

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide (CID 55201939) is 4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(N)CC2)cc1Br.
What is the InChIKey of 4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is GENLBXJBNOCPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-2-7-12(8-13(9)15)17-14(18)10-3-5-11(16)6-4-10/h2,7-8,10-11H,3-6,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide?
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55201939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).