3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide

C23H20FNO4 — CID 75910605

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2Oc2cccc(F)c2)cc1OC
InChIInChI=1S/C23H20FNO4/c1-27-21-12-10-16(14-22(21)28-2)11-13-23(26)25-19-8-3-4-9-20(19)29-18-7-5-6-17(24)15-18/h3-15H,1-2H3,(H,25,26)
InChIKeyFPHSVEGWIPQMNH-UHFFFAOYSA-N
MW393.41 g/mol
LogP5.29
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide

3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide (PubChem CID 75910605) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
PubChem CID75910605
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccccc2Oc2cccc(F)c2)cc1OC
InChIInChI=1S/C23H20FNO4/c1-27-21-12-10-16(14-22(21)28-2)11-13-23(26)25-19-8-3-4-9-20(19)29-18-7-5-6-17(24)15-18/h3-15H,1-2H3,(H,25,26)
InChIKeyFPHSVEGWIPQMNH-UHFFFAOYSA-N
XLogP5.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
[5-[3-(3-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 67337899
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzamide
CID 60602066
3-(3,4-dimethoxyphenyl)-N-[4-(2-methoxyanilino)phenyl]prop-2-enamide
CID 3469016
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
CID 60557288

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide (CID 75910605) is 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide is COc1ccc(C=CC(=O)Nc2ccccc2Oc2cccc(F)c2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide?
The InChIKey is FPHSVEGWIPQMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4/c1-27-21-12-10-16(14-22(21)28-2)11-13-23(26)25-19-8-3-4-9-20(19)29-18-7-5-6-17(24)15-18/h3-15H,1-2H3,(H,25,26).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide?
3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide has a molecular weight of 393.41 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 75910605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).