N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide

C15H18BrNO2 — CID 63563839

IUPACN-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide
SMILESCOc1ccc(Br)cc1NC(=O)CC1=CCCCC1
InChIInChI=1S/C15H18BrNO2/c1-19-14-8-7-12(16)10-13(14)17-15(18)9-11-5-3-2-4-6-11/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18)
InChIKeyPISDGDKTEQLIIR-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.29
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide

N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide (PubChem CID 63563839) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide
PubChem CID63563839
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide
SMILESCOc1ccc(Br)cc1NC(=O)CC1=CCCCC1
InChIInChI=1S/C15H18BrNO2/c1-19-14-8-7-12(16)10-13(14)17-15(18)9-11-5-3-2-4-6-11/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18)
InChIKeyPISDGDKTEQLIIR-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 55905124
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-5-methylbenzoate
CID 63564039
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]benzoate
CID 63563667
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-(5-bromo-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025862
2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
CID 79349776
N-(5-bromo-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185194
N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63564030
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-(5-bromo-2-methoxyphenyl)pent-4-ynamide
CID 106741399
N-(2,5-dibromophenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 39166458

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide (CID 63563839) is N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide is COc1ccc(Br)cc1NC(=O)CC1=CCCCC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide?
The InChIKey is PISDGDKTEQLIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-19-14-8-7-12(16)10-13(14)17-15(18)9-11-5-3-2-4-6-11/h5,7-8,10H,2-4,6,9H2,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide?
N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide has a molecular weight of 324.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 63563839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).