N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide

C15H17BrClNO — CID 113445578

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
SMILESCc1cc(Br)c(NC(=O)CC2=CCCCC2)cc1Cl
InChIInChI=1S/C15H17BrClNO/c1-10-7-12(16)14(9-13(10)17)18-15(19)8-11-5-3-2-4-6-11/h5,7,9H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyNUZFYWUJXCKZEA-UHFFFAOYSA-N
MW342.66 g/mol
LogP5.24
Rot. Bonds3

About N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide

N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide (PubChem CID 113445578) has the molecular formula C15H17BrClNO and a molecular weight of 342.66 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
PubChem CID113445578
Molecular FormulaC15H17BrClNO
Molecular Weight342.66 g/mol
Exact Mass341.02
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
SMILESCc1cc(Br)c(NC(=O)CC2=CCCCC2)cc1Cl
InChIInChI=1S/C15H17BrClNO/c1-10-7-12(16)14(9-13(10)17)18-15(19)8-11-5-3-2-4-6-11/h5,7,9H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyNUZFYWUJXCKZEA-UHFFFAOYSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.66
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63564030
N-(2-chloro-4-hydroxyphenyl)-2-(cyclohexen-1-yl)acetamide
CID 64786368
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
N-(2-chloro-5-sulfamoylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63563292
N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63563839
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-5-methylbenzoate
CID 63564039
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104723917
1-(3-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)ethanone
CID 107559942
3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104723649
4-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 63562693
2-(2-amino-1,3-thiazol-4-yl)-N-(2-bromo-5-chloro-4-methylphenyl)acetamide
CID 104723693

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide (CID 113445578) is N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide is Cc1cc(Br)c(NC(=O)CC2=CCCCC2)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide?
The InChIKey is NUZFYWUJXCKZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO/c1-10-7-12(16)14(9-13(10)17)18-15(19)8-11-5-3-2-4-6-11/h5,7,9H,2-4,6,8H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide has a molecular weight of 342.66 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 113445578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).