1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one

C23H20FNO3 — CID 143183952

IUPAC1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one
SMILESC=C(C(=O)c1ccc(F)cc1)c1ccc(OC)cc1Nc1ccc(OC)cc1
InChIInChI=1S/C23H20FNO3/c1-15(23(26)16-4-6-17(24)7-5-16)21-13-12-20(28-3)14-22(21)25-18-8-10-19(27-2)11-9-18/h4-14,25H,1H2,2-3H3
InChIKeyWQRGQGNQSBRTHP-UHFFFAOYSA-N
MW377.42 g/mol
LogP5.48
Rot. Bonds7

About 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one

1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one (PubChem CID 143183952) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one
PubChem CID143183952
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one
SMILESC=C(C(=O)c1ccc(F)cc1)c1ccc(OC)cc1Nc1ccc(OC)cc1
InChIInChI=1S/C23H20FNO3/c1-15(23(26)16-4-6-17(24)7-5-16)21-13-12-20(28-3)14-22(21)25-18-8-10-19(27-2)11-9-18/h4-14,25H,1H2,2-3H3
InChIKeyWQRGQGNQSBRTHP-UHFFFAOYSA-N
XLogP5.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one 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

N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
dimethyl 2,5-bis(4-fluoroanilino)benzene-1,4-dicarboxylate
CID 21058668
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837
2-anilino-4-methoxy-N-methylbenzamide
CID 66646224
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
1-[4-(5-fluoro-2-methoxyanilino)phenyl]ethanone
CID 82536658
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate
CID 155452288
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one (CID 143183952) is 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one is C=C(C(=O)c1ccc(F)cc1)c1ccc(OC)cc1Nc1ccc(OC)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one?
The InChIKey is WQRGQGNQSBRTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c1-15(23(26)16-4-6-17(24)7-5-16)21-13-12-20(28-3)14-22(21)25-18-8-10-19(27-2)11-9-18/h4-14,25H,1H2,2-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one?
1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one has a molecular weight of 377.42 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-methoxy-2-(4-methoxyanilino)phenyl]prop-2-en-1-one is sourced from PubChem (CID 143183952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).