2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

C19H23FN2O2 — CID 78826757

IUPAC2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1cccc(OC)c1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-4-22(17-10-8-16(20)9-11-17)14-19(23)21(2)13-15-6-5-7-18(12-15)24-3/h5-12H,4,13-14H2,1-3H3
InChIKeyFXRCQVMXVUMGED-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.32
Rot. Bonds7

About 2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 78826757) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID78826757
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1cccc(OC)c1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O2/c1-4-22(17-10-8-16(20)9-11-17)14-19(23)21(2)13-15-6-5-7-18(12-15)24-3/h5-12H,4,13-14H2,1-3H3
InChIKeyFXRCQVMXVUMGED-UHFFFAOYSA-N
XLogP3.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 78826759
N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide
CID 78826763
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511
3-(4-fluoro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]anilino)propanamide
CID 86891100
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 86910816
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 78787985
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 7713318
3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
CID 34688622
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (CID 78826757) is 2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is CCN(CC(=O)N(C)Cc1cccc(OC)c1)c1ccc(F)cc1.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is FXRCQVMXVUMGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-4-22(17-10-8-16(20)9-11-17)14-19(23)21(2)13-15-6-5-7-18(12-15)24-3/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 330.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 78826757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).