N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide

C15H11BrFNO — CID 74868716

IUPACN-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H11BrFNO/c16-13-10-12(17)7-8-14(13)18-15(19)9-6-11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyYSCPTZUMTBDXNR-UHFFFAOYSA-N
MW320.16 g/mol
LogP4.24
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide

N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide (PubChem CID 74868716) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide
PubChem CID74868716
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC NameN-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H11BrFNO/c16-13-10-12(17)7-8-14(13)18-15(19)9-6-11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyYSCPTZUMTBDXNR-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromo-4-fluorophenyl)-3-phenylprop-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

(E)-3-(3-aminophenyl)-N-(2-bromo-4-fluorophenyl)prop-2-enamide
CID 115342735
(E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 53268248
(E)-3-phenyl-N-(2,3,5-trifluorophenyl)prop-2-enamide
CID 101479508
(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
CID 43134311
(E)-N-(2-bromo-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47249112
(E)-N-(2-bromo-4-fluorophenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 52653662
5-bromo-2-(3-phenylprop-2-enoylamino)benzoic acid
CID 72738376
(E)-N-(2-bromo-4-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55796826
(2-bromo-4-fluorophenyl)urea
CID 28939155
N-(2-bromo-4-fluorophenyl)-3-methylbut-2-enamide
CID 43134331
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide (CID 74868716) is N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide?
The InChIKey is YSCPTZUMTBDXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-13-10-12(17)7-8-14(13)18-15(19)9-6-11-4-2-1-3-5-11/h1-10H,(H,18,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide?
N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide has a molecular weight of 320.16 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 74868716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).