1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide

C14H19BrN2O — CID 24696673

IUPAC1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1(N)CCCCC1
InChIInChI=1S/C14H19BrN2O/c1-10-9-11(15)5-6-12(10)17-13(18)14(16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,18)
InChIKeyRFMAIHPXMQOINV-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.36
Rot. Bonds2

About 1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide

1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 24696673) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
PubChem CID24696673
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1(N)CCCCC1
InChIInChI=1S/C14H19BrN2O/c1-10-9-11(15)5-6-12(10)17-13(18)14(16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,18)
InChIKeyRFMAIHPXMQOINV-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
1-amino-N-(2-methyl-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60927272
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119312323

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide (CID 24696673) is 1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide is Cc1cc(Br)ccc1NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is RFMAIHPXMQOINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-9-11(15)5-6-12(10)17-13(18)14(16)7-3-2-4-8-14/h5-6,9H,2-4,7-8,16H2,1H3,(H,17,18).
What are the key properties of 1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide?
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 24696673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).