2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide

C13H13BrFNO — CID 114559340

IUPAC2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H13BrFNO/c1-3-8-16(9-4-2)13(17)12-10(14)6-5-7-11(12)15/h3-7H,1-2,8-9H2
InChIKeyOUQRXSQFQXFNEX-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.40
Rot. Bonds5

About 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide

2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide (PubChem CID 114559340) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
PubChem CID114559340
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C13H13BrFNO/c1-3-8-16(9-4-2)13(17)12-10(14)6-5-7-11(12)15/h3-7H,1-2,8-9H2
InChIKeyOUQRXSQFQXFNEX-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)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

2-bromo-6-fluoro-N-prop-2-enylbenzamide
CID 115678484
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
1-(2-bromo-6-fluorophenyl)prop-2-en-1-one
CID 114885459
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide
CID 107479991
2-fluoro-6-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-prop-2-enylbenzamide
CID 131934666
N-benzyl-2-bromo-N-(cyanomethyl)-6-fluorobenzamide
CID 114559561
3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
CID 107517815
2-bromo-6-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 114559534
ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate
CID 114559509
2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
CID 113251002

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide (CID 114559340) is 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is OUQRXSQFQXFNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-3-8-16(9-4-2)13(17)12-10(14)6-5-7-11(12)15/h3-7H,1-2,8-9H2.
What are the key properties of 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide?
2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 298.16 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 114559340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).