(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide

C17H16FNO3 — CID 9072399

IUPAC(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(F)c2)cc(OC)c1
InChIInChI=1S/C17H16FNO3/c1-21-15-8-12(9-16(11-15)22-2)6-7-17(20)19-14-5-3-4-13(18)10-14/h3-11H,1-2H3,(H,19,20)/b7-6+
InChIKeyYKAFNHKGSJFHJX-VOTSOKGWSA-N
MW301.32 g/mol
LogP3.49
Rot. Bonds5

About (E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide

(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide (PubChem CID 9072399) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
PubChem CID9072399
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cccc(F)c2)cc(OC)c1
InChIInChI=1S/C17H16FNO3/c1-21-15-8-12(9-16(11-15)22-2)6-7-17(20)19-14-5-3-4-13(18)10-14/h3-11H,1-2H3,(H,19,20)/b7-6+
InChIKeyYKAFNHKGSJFHJX-VOTSOKGWSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 17419491
N-[3-[[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 55892908
[5-[3-(3-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 67337899
(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 785785
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 26274205
(E)-3-(3,4-dihydroxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 46907512
(E)-N-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 29110301
(E)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675
(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26703055
(E)-3-(3,5-dimethoxyphenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]prop-2-enamide
CID 46568433

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide (CID 9072399) is (E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cccc(F)c2)cc(OC)c1.
What is the InChIKey of (E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide?
The InChIKey is YKAFNHKGSJFHJX-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-21-15-8-12(9-16(11-15)22-2)6-7-17(20)19-14-5-3-4-13(18)10-14/h3-11H,1-2H3,(H,19,20)/b7-6+.
What are the key properties of (E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide?
(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide has a molecular weight of 301.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 9072399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).