N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide

C15H18BrNO — CID 63564030

IUPACN-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
SMILESCc1ccc(NC(=O)CC2=CCCCC2)cc1Br
InChIInChI=1S/C15H18BrNO/c1-11-7-8-13(10-14(11)16)17-15(18)9-12-5-3-2-4-6-12/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18)
InChIKeyNZSCULWNJKVLHJ-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.59
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide

N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide (PubChem CID 63564030) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
PubChem CID63564030
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
SMILESCc1ccc(NC(=O)CC2=CCCCC2)cc1Br
InChIInChI=1S/C15H18BrNO/c1-11-7-8-13(10-14(11)16)17-15(18)9-12-5-3-2-4-6-12/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18)
InChIKeyNZSCULWNJKVLHJ-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.59
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

4-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 63562693
2-(cyclohexen-1-yl)-N-(4-iodophenyl)acetamide
CID 63563087
N-(2-bromo-5-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 113445578
2-(cyclohexen-1-yl)-N-(3-fluoro-4-methylsulfonylphenyl)acetamide
CID 71999240
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 62404550
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
N-(3-bromo-4-methylphenyl)-3-(cyclopentylamino)propanamide
CID 109013707
N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769211
N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63563839
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112998503

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide (CID 63564030) is N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide is Cc1ccc(NC(=O)CC2=CCCCC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide?
The InChIKey is NZSCULWNJKVLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-11-7-8-13(10-14(11)16)17-15(18)9-12-5-3-2-4-6-12/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide?
N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide has a molecular weight of 308.22 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 63564030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).