(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide

C16H13F2NO2 — CID 897806

IUPAC(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2NO2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-12-5-8-14(17)15(18)10-12/h2-10H,1H3,(H,19,20)/b9-4+
InChIKeyQDILDHFIFKJDRQ-RUDMXATFSA-N
MW289.28 g/mol
LogP3.63
Rot. Bonds4

About (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 897806) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID897806
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H13F2NO2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-12-5-8-14(17)15(18)10-12/h2-10H,1H3,(H,19,20)/b9-4+
InChIKeyQDILDHFIFKJDRQ-RUDMXATFSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)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

3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
N,3-bis(3,4-difluorophenyl)prop-2-enamide
CID 71420101
(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 7770255
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
N-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 883171
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 9011002
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 897806) is (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is QDILDHFIFKJDRQ-RUDMXATFSA-N. The full InChI is InChI=1S/C16H13F2NO2/c1-21-13-6-2-11(3-7-13)4-9-16(20)19-12-5-8-14(17)15(18)10-12/h2-10H,1H3,(H,19,20)/b9-4+.
What are the key properties of (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 289.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 897806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).