3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide

C14H18Br2N2O — CID 63041984

IUPAC3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2CCCC(N)C2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O/c1-8-5-11(15)13(12(16)6-8)18-14(19)9-3-2-4-10(17)7-9/h5-6,9-10H,2-4,7,17H2,1H3,(H,18,19)
InChIKeyWTWHRVAZIZTOGR-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.98
Rot. Bonds2

About 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide

3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 63041984) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID63041984
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(Br)c(NC(=O)C2CCCC(N)C2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O/c1-8-5-11(15)13(12(16)6-8)18-14(19)9-3-2-4-10(17)7-9/h5-6,9-10H,2-4,7,17H2,1H3,(H,18,19)
InChIKeyWTWHRVAZIZTOGR-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 79526653
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
3-amino-N-(2,4,6-trichlorophenyl)cyclohexane-1-carboxamide
CID 63042160
3-amino-N-(2,4-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 112741900
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 63043384
3-[(2,4,6-tribromophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788349
3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide (CID 63041984) is 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide is Cc1cc(Br)c(NC(=O)C2CCCC(N)C2)c(Br)c1.
What is the InChIKey of 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is WTWHRVAZIZTOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-8-5-11(15)13(12(16)6-8)18-14(19)9-3-2-4-10(17)7-9/h5-6,9-10H,2-4,7,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide?
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 390.12 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63041984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).