2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide

C21H22BrNO2 — CID 112811303

IUPAC2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C21H22BrNO2/c1-23(17-7-3-2-4-8-17)21(25)19-10-6-5-9-18(19)20(24)15-11-13-16(22)14-12-15/h5-6,9-14,17H,2-4,7-8H2,1H3
InChIKeyOKLMSQBSPVYHPK-UHFFFAOYSA-N
MW400.32 g/mol
LogP5.08
Rot. Bonds4

About 2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide

2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide (PubChem CID 112811303) has the molecular formula C21H22BrNO2 and a molecular weight of 400.32 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide
PubChem CID112811303
Molecular FormulaC21H22BrNO2
Molecular Weight400.32 g/mol
Exact Mass399.08
IUPAC Name2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C21H22BrNO2/c1-23(17-7-3-2-4-8-17)21(25)19-10-6-5-9-18(19)20(24)15-11-13-16(22)14-12-15/h5-6,9-14,17H,2-4,7-8H2,1H3
InChIKeyOKLMSQBSPVYHPK-UHFFFAOYSA-N
XLogP5.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.32
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112811335
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide
CID 107872003
4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
CID 19754888
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
N-cyclohexyl-2-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 4938931
N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613629

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide (CID 112811303) is 2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1ccccc1C(=O)c1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of 2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide?
The InChIKey is OKLMSQBSPVYHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrNO2/c1-23(17-7-3-2-4-8-17)21(25)19-10-6-5-9-18(19)20(24)15-11-13-16(22)14-12-15/h5-6,9-14,17H,2-4,7-8H2,1H3.
What are the key properties of 2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide?
2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide has a molecular weight of 400.32 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 112811303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).