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

C18H18FNO2 — CID 4943064

IUPAC3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO2/c1-2-13-22-17-10-8-16(9-11-17)20-18(21)12-5-14-3-6-15(19)7-4-14/h3-12H,2,13H2,1H3,(H,20,21)
InChIKeyKOXMZQHALXTNMM-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.27
Rot. Bonds6

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

3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide (PubChem CID 4943064) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
PubChem CID4943064
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO2/c1-2-13-22-17-10-8-16(9-11-17)20-18(21)12-5-14-3-6-15(19)7-4-14/h3-12H,2,13H2,1H3,(H,20,21)
InChIKeyKOXMZQHALXTNMM-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.27
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

N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-N-[(4-ethoxyphenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
CID 920816
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
propan-2-yl 4-[3-(4-butoxyphenyl)prop-2-enoylamino]benzoate
CID 4623630
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide
CID 4941568
N-(4-fluorophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988930
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide (CID 4943064) is 3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(NC(=O)C=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is KOXMZQHALXTNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-2-13-22-17-10-8-16(9-11-17)20-18(21)12-5-14-3-6-15(19)7-4-14/h3-12H,2,13H2,1H3,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 299.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4943064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).