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

C15H11BrFNO — CID 4065787

IUPAC2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide
SMILESO=C(Nc1ccccc1F)C(Br)=Cc1ccccc1
InChIInChI=1S/C15H11BrFNO/c16-12(10-11-6-2-1-3-7-11)15(19)18-14-9-5-4-8-13(14)17/h1-10H,(H,18,19)
InChIKeyYTPVPXINRINGGS-UHFFFAOYSA-N
MW320.16 g/mol
LogP4.20
Rot. Bonds3

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

2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide (PubChem CID 4065787) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is 2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide
PubChem CID4065787
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide
SMILESO=C(Nc1ccccc1F)C(Br)=Cc1ccccc1
InChIInChI=1S/C15H11BrFNO/c16-12(10-11-6-2-1-3-7-11)15(19)18-14-9-5-4-8-13(14)17/h1-10H,(H,18,19)
InChIKeyYTPVPXINRINGGS-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-fluorophenyl)but-2-enamide
CID 54001834
2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 716250
(Z)-4-(2-fluoroanilino)-3-methyl-4-oxobut-2-enoic acid
CID 7344015
2-[(2,6-difluorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 27131160
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide
CID 716265
2-bromo-N-(2,6-diethylphenyl)-3-phenylprop-2-enamide
CID 1192016
(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1191949
2-[[(Z)-2-bromo-3-naphthalen-2-ylprop-2-enoyl]amino]benzoic acid
CID 146171757
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
(2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide
CID 110615579

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide?
The IUPAC name of 2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide (CID 4065787) is 2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for 2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for 2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide is O=C(Nc1ccccc1F)C(Br)=Cc1ccccc1.
What is the InChIKey of 2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide?
The InChIKey is YTPVPXINRINGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-12(10-11-6-2-1-3-7-11)15(19)18-14-9-5-4-8-13(14)17/h1-10H,(H,18,19).
What are the key properties of 2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide?
2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide has a molecular weight of 320.16 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-fluorophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 4065787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).