2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide

C15H20Br2N2O — CID 114374499

IUPAC2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(N(C)C(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H20Br2N2O/c1-18-11-4-6-12(7-5-11)19(2)15(20)13-9-10(16)3-8-14(13)17/h3,8-9,11-12,18H,4-7H2,1-2H3
InChIKeyWJEDUUGPSMXMES-UHFFFAOYSA-N
MW404.15 g/mol
LogP3.81
Rot. Bonds3

About 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide

2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide (PubChem CID 114374499) has the molecular formula C15H20Br2N2O and a molecular weight of 404.15 g/mol. Its IUPAC name is 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
PubChem CID114374499
Molecular FormulaC15H20Br2N2O
Molecular Weight404.15 g/mol
Exact Mass401.99
IUPAC Name2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
SMILESCNC1CCC(N(C)C(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H20Br2N2O/c1-18-11-4-6-12(7-5-11)19(2)15(20)13-9-10(16)3-8-14(13)17/h3,8-9,11-12,18H,4-7H2,1-2H3
InChIKeyWJEDUUGPSMXMES-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.15
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide 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-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
CID 55026519
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 114370914
2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 114027530
2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110604
2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide
CID 81110329
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
N-methyl-N-[4-(methylamino)cyclohexyl]-2-methylsulfanylbenzamide
CID 79217283
N,3,6-trimethyl-N-[4-(methylamino)cyclohexyl]pyridazine-4-carboxamide
CID 104668822
2-bromo-N-(4-ethylcyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107024800
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24690461

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The IUPAC name of 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide (CID 114374499) is 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide is CNC1CCC(N(C)C(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
The InChIKey is WJEDUUGPSMXMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O/c1-18-11-4-6-12(7-5-11)19(2)15(20)13-9-10(16)3-8-14(13)17/h3,8-9,11-12,18H,4-7H2,1-2H3.
What are the key properties of 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide?
2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide has a molecular weight of 404.15 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide is sourced from PubChem (CID 114374499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).