3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide

C11H11BrFNO — CID 106547679

IUPAC3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H11BrFNO/c1-3-7-14(2)11(15)8-5-4-6-9(12)10(8)13/h3-6H,1,7H2,2H3
InChIKeyPSURAMNKBZVDQD-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.85
Rot. Bonds3

About 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide

3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide (PubChem CID 106547679) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide
PubChem CID106547679
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H11BrFNO/c1-3-7-14(2)11(15)8-5-4-6-9(12)10(8)13/h3-6H,1,7H2,2H3
InChIKeyPSURAMNKBZVDQD-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide 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-2-fluoro-N,N-dimethylbenzamide
CID 59375042
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
3-bromo-N-[(3-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 106544611
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
3-bromo-2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 106547783
3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide
CID 112576109
2-(3-bromo-2-fluorophenyl)-N,N-dimethyl-2-oxoacetamide
CID 175978103
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
CID 114559340
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
CID 106544595

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide (CID 106547679) is 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide is C=CCN(C)C(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide?
The InChIKey is PSURAMNKBZVDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-3-7-14(2)11(15)8-5-4-6-9(12)10(8)13/h3-6H,1,7H2,2H3.
What are the key properties of 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide?
3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide has a molecular weight of 272.12 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 106547679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).