3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide

C16H14FNO2 — CID 4047659

IUPAC3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-20-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-11H,1H3,(H,18,19)
InChIKeyFLJNWLPXJCCLTK-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.49
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide

3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 4047659) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID4047659
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c1-20-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-11H,1H3,(H,18,19)
InChIKeyFLJNWLPXJCCLTK-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255
(E)-3-(4-fluorophenyl)-N-[4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6108914
(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
N-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76890361
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-N-(5-acetyl-2-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 94763117
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26886402
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
CID 851837

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide (CID 4047659) is 3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1NC(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is FLJNWLPXJCCLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-20-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-11H,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 271.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4047659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).