3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide

C15H21BrN2O — CID 107872003

IUPAC3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H21BrN2O/c1-10-13(8-11(16)9-14(10)17)15(19)18(2)12-6-4-3-5-7-12/h8-9,12H,3-7,17H2,1-2H3
InChIKeyRNBGEVKKCIGGOJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.74
Rot. Bonds2

About 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide

3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide (PubChem CID 107872003) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide
PubChem CID107872003
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H21BrN2O/c1-10-13(8-11(16)9-14(10)17)15(19)18(2)12-6-4-3-5-7-12/h8-9,12H,3-7,17H2,1-2H3
InChIKeyRNBGEVKKCIGGOJ-UHFFFAOYSA-N
XLogP3.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide 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

2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 55042078
2-amino-N-cyclopentyl-N,5-dimethylbenzamide
CID 62509333
3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 114011338
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide
CID 112811303
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107872784
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide (CID 107872003) is 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide is Cc1c(N)cc(Br)cc1C(=O)N(C)C1CCCCC1.
What is the InChIKey of 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide?
The InChIKey is RNBGEVKKCIGGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-13(8-11(16)9-14(10)17)15(19)18(2)12-6-4-3-5-7-12/h8-9,12H,3-7,17H2,1-2H3.
What are the key properties of 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide?
3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide is sourced from PubChem (CID 107872003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).