(E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide

C18H18FNO2 — CID 110298638

IUPAC(E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide
SMILESCOc1ccccc1CNC(=O)/C(C)=C/c1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-13(11-14-7-3-5-9-16(14)19)18(21)20-12-15-8-4-6-10-17(15)22-2/h3-11H,12H2,1-2H3,(H,20,21)/b13-11+
InChIKeyUBOFXBWPLMEEPB-ACCUITESSA-N
MW299.35 g/mol
LogP3.55
Rot. Bonds5

About (E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide

(E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide (PubChem CID 110298638) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide
PubChem CID110298638
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide
SMILESCOc1ccccc1CNC(=O)/C(C)=C/c1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-13(11-14-7-3-5-9-16(14)19)18(21)20-12-15-8-4-6-10-17(15)22-2/h3-11H,12H2,1-2H3,(H,20,21)/b13-11+
InChIKeyUBOFXBWPLMEEPB-ACCUITESSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.55
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-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide
CID 110298647
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide
CID 110298659
N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 4672170
(Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide
CID 47025986
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7703122
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide
CID 110302847
N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide
CID 110309432
(Z)-4-[(2-methoxyphenyl)methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266732
N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946915
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide (CID 110298638) is (E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide is COc1ccccc1CNC(=O)/C(C)=C/c1ccccc1F.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide?
The InChIKey is UBOFXBWPLMEEPB-ACCUITESSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13(11-14-7-3-5-9-16(14)19)18(21)20-12-15-8-4-6-10-17(15)22-2/h3-11H,12H2,1-2H3,(H,20,21)/b13-11+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide has a molecular weight of 299.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2-methylprop-2-enamide is sourced from PubChem (CID 110298638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).