(Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide

C16H10BrFN2O — CID 878957

IUPAC(Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C/c1ccccc1F)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H10BrFN2O/c17-13-5-3-6-14(9-13)20-16(21)12(10-19)8-11-4-1-2-7-15(11)18/h1-9H,(H,20,21)/b12-8-
InChIKeyGITGUKAFZPLUOC-WQLSENKSSA-N
MW345.17 g/mol
LogP4.13
Rot. Bonds3

About (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide

(Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 878957) has the molecular formula C16H10BrFN2O and a molecular weight of 345.17 g/mol. Its IUPAC name is (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
PubChem CID878957
Molecular FormulaC16H10BrFN2O
Molecular Weight345.17 g/mol
Exact Mass344.00
IUPAC Name(Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
SMILESN#C/C(=C/c1ccccc1F)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H10BrFN2O/c17-13-5-3-6-14(9-13)20-16(21)12(10-19)8-11-4-1-2-7-15(11)18/h1-9H,(H,20,21)/b12-8-
InChIKeyGITGUKAFZPLUOC-WQLSENKSSA-N
XLogP4.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-(3-bromophenyl)-2-cyano-3-(2-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)-2-cyano-3-(2-fluorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 51166998
2-cyano-3-(2-fluorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 4517104
(E)-N-(3-bromophenyl)-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 1366410
(E)-N-(3-bromophenyl)-2-cyano-3-(2-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 21229477
(E)-3-(3-bromophenyl)-2-cyano-N-phenylprop-2-enamide
CID 27114866
(E)-N-(3-bromophenyl)-2-cyano-3-(1-methylindol-3-yl)prop-2-enamide
CID 1366456
(E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 7948177
N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
CID 2883454
3-(2-bromophenyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 5124565
(E)-N-(3-bromophenyl)-2-cyano-3-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide
CID 50865321
N-(3-bromophenyl)-2-cyano-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enamide
CID 5244228
(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide
CID 19183427

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide (CID 878957) is (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide is N#C/C(=C/c1ccccc1F)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is GITGUKAFZPLUOC-WQLSENKSSA-N. The full InChI is InChI=1S/C16H10BrFN2O/c17-13-5-3-6-14(9-13)20-16(21)12(10-19)8-11-4-1-2-7-15(11)18/h1-9H,(H,20,21)/b12-8-.
What are the key properties of (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide?
(Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 345.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 878957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).