(E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide

C16H10ClFN2O — CID 18285555

IUPAC(E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESN#Cc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C16H10ClFN2O/c17-15-7-6-14(9-12(15)10-19)20-16(21)8-3-11-1-4-13(18)5-2-11/h1-9H,(H,20,21)/b8-3+
InChIKeyVBPUIPMPDUMCBS-FPYGCLRLSA-N
MW300.72 g/mol
LogP4.00
Rot. Bonds3

About (E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 18285555) has the molecular formula C16H10ClFN2O and a molecular weight of 300.72 g/mol. Its IUPAC name is (E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID18285555
Molecular FormulaC16H10ClFN2O
Molecular Weight300.72 g/mol
Exact Mass300.05
IUPAC Name(E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESN#Cc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C16H10ClFN2O/c17-15-7-6-14(9-12(15)10-19)20-16(21)8-3-11-1-4-13(18)5-2-11/h1-9H,(H,20,21)/b8-3+
InChIKeyVBPUIPMPDUMCBS-FPYGCLRLSA-N
XLogP4.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(4-chloro-3-cyanophenyl)-3-(4-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

(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 28867683
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4666704
(E)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6180383
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
(E)-N-[4-(cyanomethyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9193784
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
(E)-N-(3-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 8915005
N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
(E)-N-(1,3-dioxoisoindol-5-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17172115
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide (CID 18285555) is (E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide is N#Cc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of (E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is VBPUIPMPDUMCBS-FPYGCLRLSA-N. The full InChI is InChI=1S/C16H10ClFN2O/c17-15-7-6-14(9-12(15)10-19)20-16(21)8-3-11-1-4-13(18)5-2-11/h1-9H,(H,20,21)/b8-3+.
What are the key properties of (E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 300.72 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 18285555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).