2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide

C17H23BrN2O2 — CID 113159569

IUPAC2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)cc1Br)C1CCCCC1
InChIInChI=1S/C17H23BrN2O2/c1-12-8-9-16(15(18)10-12)19-17(22)11-20(13(2)21)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,19,22)
InChIKeyXAFWZIQDCVYNOK-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.88
Rot. Bonds4

About 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide

2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 113159569) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID113159569
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)cc1Br)C1CCCCC1
InChIInChI=1S/C17H23BrN2O2/c1-12-8-9-16(15(18)10-12)19-17(22)11-20(13(2)21)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,19,22)
InChIKeyXAFWZIQDCVYNOK-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide 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-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642312
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
CID 113159571
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
2-[acetyl(cyclohexyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 113159584
2-[acetyl(cyclopropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158463
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083120
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807310
N-(2-bromo-4-methylphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825232
2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide
CID 113159568
2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 66183880

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide (CID 113159569) is 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)cc1Br)C1CCCCC1.
What is the InChIKey of 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is XAFWZIQDCVYNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-12-8-9-16(15(18)10-12)19-17(22)11-20(13(2)21)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide?
2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 367.29 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 113159569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).