N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide

C16H13F5N2O — CID 16580967

IUPACN-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(F)cc2F)cc1C(F)(F)F
InChIInChI=1S/C16H13F5N2O/c1-9-2-4-11(7-12(9)16(19,20)21)22-8-15(24)23-14-5-3-10(17)6-13(14)18/h2-7,22H,8H2,1H3,(H,23,24)
InChIKeyOVKZDJATRFYHPE-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.34
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide

N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 16580967) has the molecular formula C16H13F5N2O and a molecular weight of 344.28 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID16580967
Molecular FormulaC16H13F5N2O
Molecular Weight344.28 g/mol
Exact Mass344.09
IUPAC NameN-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(F)cc2F)cc1C(F)(F)F
InChIInChI=1S/C16H13F5N2O/c1-9-2-4-11(7-12(9)16(19,20)21)22-8-15(24)23-14-5-3-10(17)6-13(14)18/h2-7,22H,8H2,1H3,(H,23,24)
InChIKeyOVKZDJATRFYHPE-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(2-acetylphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580969
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 7922871
N-(5-acetamido-2-methoxyphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 24614942
N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109008349
N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109009001
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
methyl 3-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 36586894
N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60703977
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60721340
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263881

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide (CID 16580967) is N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide is Cc1ccc(NCC(=O)Nc2ccc(F)cc2F)cc1C(F)(F)F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is OVKZDJATRFYHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2O/c1-9-2-4-11(7-12(9)16(19,20)21)22-8-15(24)23-14-5-3-10(17)6-13(14)18/h2-7,22H,8H2,1H3,(H,23,24).
What are the key properties of N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 344.28 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 16580967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).