5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide

C16H22BrNO — CID 65309722

IUPAC5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C16H22BrNO/c1-11-8-9-14(17)10-15(11)16(19)18-12(2)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,18,19)
InChIKeyCOZJSRJVDRMMGB-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.46
Rot. Bonds3

About 5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide

5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide (PubChem CID 65309722) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
PubChem CID65309722
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C16H22BrNO/c1-11-8-9-14(17)10-15(11)16(19)18-12(2)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,18,19)
InChIKeyCOZJSRJVDRMMGB-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 5-bromo-N-(1-cyclohexylethyl)-2-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

5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782
5-bromo-N-(1-cyclopropylethyl)-2-iodobenzamide
CID 47113790
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
CID 111477730
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide
CID 107873151
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
(2R)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79005193
(2S)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 65305994

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide (CID 65309722) is 5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC(C)C1CCCCC1.
What is the InChIKey of 5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide?
The InChIKey is COZJSRJVDRMMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11-8-9-14(17)10-15(11)16(19)18-12(2)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide?
5-bromo-N-(1-cyclohexylethyl)-2-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 5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide is sourced from PubChem (CID 65309722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).