2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide

C17H23BrN2O2 — CID 113159571

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

About 2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide

2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide (PubChem CID 113159571) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
PubChem CID113159571
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Br)c(C)c1)C1CCCCC1
InChIInChI=1S/C17H23BrN2O2/c1-12-10-14(8-9-16(12)18)19-17(22)11-20(13(2)21)15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3,(H,19,22)
InChIKeyOFRQGMJXNIQCIU-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

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Related Compounds

Nbd-557
CID 5279270
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
N-(4-Bromo-phenyl)-2-(3,4-dimethyl-phenylamino)-acetamide
CID 832423
N-(2-{[(2-bromophenyl)carbamoyl]amino}ethyl)-N-(3-methylphenyl)acetamide
CID 24768235
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
N-(2-bromophenyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 2404945
7-bromo-5-phenyl-4-propionyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
CID 2857771
N-(4-Bromo-3-methyl-phenyl)-2-[4-(2-cyano-phenyl)-piperazin-1-yl]-acetamide
CID 44393797
7-bromo-4-cyclopentyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 122635767
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3941420
2-(4-benzylpiperazin-1-yl)-N-(3-bromophenyl)acetamide
CID 2091118
N-(2-bromo-4-methylphenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 2125655

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide (CID 113159571) is 2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Br)c(C)c1)C1CCCCC1.
What is the InChIKey of 2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide?
The InChIKey is OFRQGMJXNIQCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-12-10-14(8-9-16(12)18)19-17(22)11-20(13(2)21)15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)acetamide?
2-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-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-(4-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 113159571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).