2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide

C17H15F3N2O2 — CID 113162490

IUPAC2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1F)Cc1ccc(F)cc1
InChIInChI=1S/C17H15F3N2O2/c1-11(23)22(9-12-2-4-13(18)5-3-12)10-17(24)21-16-7-6-14(19)8-15(16)20/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyBVPAVYMAFPDGBG-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.09
Rot. Bonds5

About 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide

2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 113162490) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
PubChem CID113162490
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1F)Cc1ccc(F)cc1
InChIInChI=1S/C17H15F3N2O2/c1-11(23)22(9-12-2-4-13(18)5-3-12)10-17(24)21-16-7-6-14(19)8-15(16)20/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyBVPAVYMAFPDGBG-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113161524
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119688
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 113160935
2-[acetyl(3-methylbutyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113166624
2-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113169375
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-fluorophenyl)acetamide
CID 113164409
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253283
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
2-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167429
2-(N-acetyl-4-methylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167823
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113162350

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide (CID 113162490) is 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)cc1F)Cc1ccc(F)cc1.
What is the InChIKey of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is BVPAVYMAFPDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11(23)22(9-12-2-4-13(18)5-3-12)10-17(24)21-16-7-6-14(19)8-15(16)20/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide?
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 336.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 113162490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).