2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide

C18H19FN2O2 — CID 27827477

IUPAC2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(CC(=O)N(C)Cc2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O2/c1-13(22)20-17-8-6-14(7-9-17)11-18(23)21(2)12-15-4-3-5-16(19)10-15/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyKWWBTTPDOZSCIF-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.99
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide

2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 27827477) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID27827477
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(CC(=O)N(C)Cc2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O2/c1-13(22)20-17-8-6-14(7-9-17)11-18(23)21(2)12-15-4-3-5-16(19)10-15/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyKWWBTTPDOZSCIF-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
2-(4-acetamidophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17485829
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 32758175
N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988362
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8791449
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
CID 8791451
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
3-[4-(cyanomethyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86987977
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46052590
2-(4-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27823052
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 27827477) is 2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is CC(=O)Nc1ccc(CC(=O)N(C)Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is KWWBTTPDOZSCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13(22)20-17-8-6-14(7-9-17)11-18(23)21(2)12-15-4-3-5-16(19)10-15/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 314.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 27827477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).