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

C19H20FNO2 — CID 110298647

IUPAC(E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide
SMILESCOc1ccccc1CCNC(=O)/C(C)=C/c1ccccc1F
InChIInChI=1S/C19H20FNO2/c1-14(13-16-8-3-5-9-17(16)20)19(22)21-12-11-15-7-4-6-10-18(15)23-2/h3-10,13H,11-12H2,1-2H3,(H,21,22)/b14-13+
InChIKeyAWVBTGUVQCGZFZ-BUHFOSPRSA-N
MW313.37 g/mol
LogP3.60
Rot. Bonds6

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

(E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide (PubChem CID 110298647) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide
PubChem CID110298647
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide
SMILESCOc1ccccc1CCNC(=O)/C(C)=C/c1ccccc1F
InChIInChI=1S/C19H20FNO2/c1-14(13-16-8-3-5-9-17(16)20)19(22)21-12-11-15-7-4-6-10-18(15)23-2/h3-10,13H,11-12H2,1-2H3,(H,21,22)/b14-13+
InChIKeyAWVBTGUVQCGZFZ-BUHFOSPRSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.60
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-methoxyphenyl)methyl]-2-methylprop-2-enamide
CID 110298638
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
(E)-N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
CID 110298527
N-[2-[[(E)-3-(2-fluorophenyl)-2-methylprop-2-enoyl]amino]ethyl]benzamide
CID 110309432
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
2-[2-(2-fluorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000124
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904152
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997498
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
N'-[2-(dimethylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996174
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide (CID 110298647) is (E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide is COc1ccccc1CCNC(=O)/C(C)=C/c1ccccc1F.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide?
The InChIKey is AWVBTGUVQCGZFZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-14(13-16-8-3-5-9-17(16)20)19(22)21-12-11-15-7-4-6-10-18(15)23-2/h3-10,13H,11-12H2,1-2H3,(H,21,22)/b14-13+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide has a molecular weight of 313.37 g/mol, XLogP of 3.60, 6 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-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 110298647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).