(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide

C22H18FNO2 — CID 7925007

IUPAC(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide
SMILESCc1cccc(Oc2ccc(NC(=O)/C=C/c3ccccc3F)cc2)c1
InChIInChI=1S/C22H18FNO2/c1-16-5-4-7-20(15-16)26-19-12-10-18(11-13-19)24-22(25)14-9-17-6-2-3-8-21(17)23/h2-15H,1H3,(H,24,25)/b14-9+
InChIKeyDXXHBTGEPXFDOD-NTEUORMPSA-N
MW347.39 g/mol
LogP5.58
Rot. Bonds5

About (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide

(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide (PubChem CID 7925007) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide
PubChem CID7925007
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide
SMILESCc1cccc(Oc2ccc(NC(=O)/C=C/c3ccccc3F)cc2)c1
InChIInChI=1S/C22H18FNO2/c1-16-5-4-7-20(15-16)26-19-12-10-18(11-13-19)24-22(25)14-9-17-6-2-3-8-21(17)23/h2-15H,1H3,(H,24,25)/b14-9+
InChIKeyDXXHBTGEPXFDOD-NTEUORMPSA-N
XLogP5.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]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)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 7914871
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 126478080
(E)-3-(2-fluorophenyl)-N-naphthalen-2-ylprop-2-enamide
CID 8762219
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
2-(2-fluorophenoxy)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7925120
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
methyl 3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzoate
CID 26240448
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
(E)-N-(4-cyanophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 26289833
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8713833

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide (CID 7925007) is (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide is Cc1cccc(Oc2ccc(NC(=O)/C=C/c3ccccc3F)cc2)c1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide?
The InChIKey is DXXHBTGEPXFDOD-NTEUORMPSA-N. The full InChI is InChI=1S/C22H18FNO2/c1-16-5-4-7-20(15-16)26-19-12-10-18(11-13-19)24-22(25)14-9-17-6-2-3-8-21(17)23/h2-15H,1H3,(H,24,25)/b14-9+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide has a molecular weight of 347.39 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 7925007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).