3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide

C16H22BrNO — CID 113460730

IUPAC3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
SMILESCCC1CCC(NC(=O)c2cc(C)cc(Br)c2)CC1
InChIInChI=1S/C16H22BrNO/c1-3-12-4-6-15(7-5-12)18-16(19)13-8-11(2)9-14(17)10-13/h8-10,12,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyVZSARWVGFPODBU-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.46
Rot. Bonds3

About 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide

3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide (PubChem CID 113460730) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
PubChem CID113460730
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
SMILESCCC1CCC(NC(=O)c2cc(C)cc(Br)c2)CC1
InChIInChI=1S/C16H22BrNO/c1-3-12-4-6-15(7-5-12)18-16(19)13-8-11(2)9-14(17)10-13/h8-10,12,15H,3-7H2,1-2H3,(H,18,19)
InChIKeyVZSARWVGFPODBU-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide 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

N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 104852532
N-[4-(ethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 43653349
3-fluoro-5-methyl-N-[4-(methylsulfonylmethyl)cyclohexyl]benzamide
CID 136546514
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
3-bromo-N-(1,1-dioxothian-3-yl)-5-methylbenzamide
CID 104852729
3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
CID 113460717
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518
3-bromo-N-[(1S,2R)-2-hydroxycyclopentyl]-5-methylbenzamide
CID 99636900
1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide
CID 91483552
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide (CID 113460730) is 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide is CCC1CCC(NC(=O)c2cc(C)cc(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide?
The InChIKey is VZSARWVGFPODBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-3-12-4-6-15(7-5-12)18-16(19)13-8-11(2)9-14(17)10-13/h8-10,12,15H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide?
3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide has a molecular weight of 324.26 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide is sourced from PubChem (CID 113460730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).