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

C17H15F3N2O2 — CID 113178953

IUPAC2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2O2/c1-11(23)22(16-7-6-14(19)8-15(16)20)10-17(24)21-9-12-2-4-13(18)5-3-12/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyRJFKMPFSNDTQLS-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.77
Rot. Bonds5

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

2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 113178953) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID113178953
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2O2/c1-11(23)22(16-7-6-14(19)8-15(16)20)10-17(24)21-9-12-2-4-13(18)5-3-12/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyRJFKMPFSNDTQLS-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113171858
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
2-(N-acetyl-2,4-difluoroanilino)acetic acid
CID 28766218
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113180657
2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 113178927
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
2-(N-acetyl-2,4-difluoroanilino)-N-(3-fluorophenyl)acetamide
CID 113179072
2-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)acetamide
CID 113179024
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146355
2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113179006

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide (CID 113178953) is 2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is RJFKMPFSNDTQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11(23)22(16-7-6-14(19)8-15(16)20)10-17(24)21-9-12-2-4-13(18)5-3-12/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 336.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113178953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).