(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide

C19H20FNO2 — CID 56968406

IUPAC(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCO/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H20FNO2/c1-13(2)15-6-10-17(11-7-15)21-19(22)18(23-3)12-14-4-8-16(20)9-5-14/h4-13H,1-3H3,(H,21,22)/b18-12-
InChIKeyHMZCGBXTUICPOE-PDGQHHTCSA-N
MW313.37 g/mol
LogP4.58
Rot. Bonds5

About (Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide

(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 56968406) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID56968406
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCO/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H20FNO2/c1-13(2)15-6-10-17(11-7-15)21-19(22)18(23-3)12-14-4-8-16(20)9-5-14/h4-13H,1-3H3,(H,21,22)/b18-12-
InChIKeyHMZCGBXTUICPOE-PDGQHHTCSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2'-oxybis[N-(4-methylphenyl)acetamide]
CID 3391212
6-(4-fluorophenyl)-3-hydroxy-1H-quinolin-2-one
CID 71816507
N-(4'-fluoro(1,1'-biphenyl)-4-yl)acetamide
CID 9812
2(1H)-Quinolinone, 3-methoxy-
CID 820270
N-(4-butylphenyl)-2-ethoxyacetamide
CID 2162873
N-(4-cyclohexylphenyl)-2-(2,2-difluoroethoxy)acetamide
CID 168289649
N-2-biphenylyl-2-methoxyacetamide
CID 885771
2-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}-N-(4-methylphenyl)acetamide
CID 3978883
N-(2-tert-butylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17477332
2-methoxy-N-[4-(propan-2-yl)phenyl]acetamide
CID 755292
3-Methoxy-4-phenyl-1H-quinolin-2-one
CID 477707
Ethyl 4'-phenyloxanilate
CID 4102623

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide (CID 56968406) is (Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide is CO/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is HMZCGBXTUICPOE-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13(2)15-6-10-17(11-7-15)21-19(22)18(23-3)12-14-4-8-16(20)9-5-14/h4-13H,1-3H3,(H,21,22)/b18-12-.
What are the key properties of (Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide?
(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 313.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 56968406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).