N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide

C15H18BrNO — CID 63563469

IUPACN-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide
SMILESO=C(CC1=CCCCC1)NCc1ccccc1Br
InChIInChI=1S/C15H18BrNO/c16-14-9-5-4-8-13(14)11-17-15(18)10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,17,18)
InChIKeyXHAPDYNWCXEVGE-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.96
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide

N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide (PubChem CID 63563469) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide
PubChem CID63563469
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide
SMILESO=C(CC1=CCCCC1)NCc1ccccc1Br
InChIInChI=1S/C15H18BrNO/c16-14-9-5-4-8-13(14)11-17-15(18)10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,17,18)
InChIKeyXHAPDYNWCXEVGE-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.96
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-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide
CID 56805762
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
N-(3-bromo-4-methylphenyl)-2-(cyclohexen-1-yl)acetamide
CID 63564030
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
2-(cyclohexen-1-yl)-N-(2-sulfamoylphenyl)acetamide
CID 63563480
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
CID 63563665
2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-phenylacetic acid
CID 63564596
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108993813
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 56786800
N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide
CID 83071908

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide (CID 63563469) is N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide is O=C(CC1=CCCCC1)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide?
The InChIKey is XHAPDYNWCXEVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c16-14-9-5-4-8-13(14)11-17-15(18)10-12-6-2-1-3-7-12/h4-6,8-9H,1-3,7,10-11H2,(H,17,18).
What are the key properties of N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide?
N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide has a molecular weight of 308.22 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 63563469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).