3-(4-bromo-3-fluorophenyl)prop-2-enamide

C9H7BrFNO — CID 169482722

IUPAC3-(4-bromo-3-fluorophenyl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc(Br)c(F)c1
InChIInChI=1S/C9H7BrFNO/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H2,12,13)
InChIKeyMOEWLSRHWONJNX-UHFFFAOYSA-N
MW244.06 g/mol
LogP2.09
Rot. Bonds2

About 3-(4-bromo-3-fluorophenyl)prop-2-enamide

3-(4-bromo-3-fluorophenyl)prop-2-enamide (PubChem CID 169482722) has the molecular formula C9H7BrFNO and a molecular weight of 244.06 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)prop-2-enamide
PubChem CID169482722
Molecular FormulaC9H7BrFNO
Molecular Weight244.06 g/mol
Exact Mass242.97
IUPAC Name3-(4-bromo-3-fluorophenyl)prop-2-enamide
SMILESNC(=O)C=Cc1ccc(Br)c(F)c1
InChIInChI=1S/C9H7BrFNO/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H2,12,13)
InChIKeyMOEWLSRHWONJNX-UHFFFAOYSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-bromo-3-fluorophenyl)prop-2-enamide 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

(Z)-3-(4-fluoro-3-methylphenyl)prop-2-enamide
CID 55267143
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
(Z)-3-(3,5-difluoro-4-hydroxyphenyl)prop-2-enamide
CID 55267922
(E)-4-(4-bromo-3-fluorophenyl)-3-methylbut-3-en-2-one
CID 103090855
(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 170877218
3-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 165346678
4-(4-bromo-3-fluorophenyl)but-3-en-1-amine
CID 170487945
methyl 5-(3-amino-3-oxoprop-1-enyl)-2-fluorobenzoate
CID 169482221
3-[4-(2-fluorophenyl)phenyl]prop-2-enamide
CID 165348625
(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876888
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)prop-2-enamide?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)prop-2-enamide (CID 169482722) is 3-(4-bromo-3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)prop-2-enamide?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)prop-2-enamide is NC(=O)C=Cc1ccc(Br)c(F)c1.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)prop-2-enamide?
The InChIKey is MOEWLSRHWONJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H2,12,13).
What are the key properties of 3-(4-bromo-3-fluorophenyl)prop-2-enamide?
3-(4-bromo-3-fluorophenyl)prop-2-enamide has a molecular weight of 244.06 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 169482722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).