2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide

C14H16BrNO — CID 47436865

IUPAC2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
SMILESO=C(NCC1CC=CCC1)c1ccccc1Br
InChIInChI=1S/C14H16BrNO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,16,17)
InChIKeyQWDVUVOKASPAMY-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.54
Rot. Bonds3

About 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide

2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide (PubChem CID 47436865) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
PubChem CID47436865
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
SMILESO=C(NCC1CC=CCC1)c1ccccc1Br
InChIInChI=1S/C14H16BrNO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,16,17)
InChIKeyQWDVUVOKASPAMY-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide
CID 107518869
2-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625164
N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
CID 63108480
2-bromo-N-(thiolan-3-ylmethyl)benzamide
CID 107296407
N-(cyclohex-3-en-1-ylmethyl)-2,4-dihydroxybenzamide
CID 113227469
4-(bromomethyl)-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 102851555
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
CID 102705456
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
CID 113304561
N-(cyclohex-3-en-1-ylmethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381100
2-[[2-(cyclohex-3-en-1-ylmethylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119182148
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2,6-dibromo-N-(cyclohex-3-en-1-ylmethyl)aniline
CID 107597677

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide (CID 47436865) is 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide is O=C(NCC1CC=CCC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide?
The InChIKey is QWDVUVOKASPAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,16,17).
What are the key properties of 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide?
2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide has a molecular weight of 294.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide is sourced from PubChem (CID 47436865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).