2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide

C16H15ClF2N2O — CID 42125098

IUPAC2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide
SMILESCc1cc(C)c(NCC(=O)Nc2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C16H15ClF2N2O/c1-9-5-10(2)16(12(17)6-9)20-8-15(22)21-14-4-3-11(18)7-13(14)19/h3-7,20H,8H2,1-2H3,(H,21,22)
InChIKeyIFHNYADPVLFFEM-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.29
Rot. Bonds4

About 2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide

2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide (PubChem CID 42125098) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide
PubChem CID42125098
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide
SMILESCc1cc(C)c(NCC(=O)Nc2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C16H15ClF2N2O/c1-9-5-10(2)16(12(17)6-9)20-8-15(22)21-14-4-3-11(18)7-13(14)19/h3-7,20H,8H2,1-2H3,(H,21,22)
InChIKeyIFHNYADPVLFFEM-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 42125159
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108532254
2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
CID 42125202
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide
CID 51253129
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
N-(2,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004326
2-(2,6-dichloro-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 83078212
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
2-(4-fluoro-2-methylanilino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26528428
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 7763930

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide (CID 42125098) is 2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide is Cc1cc(C)c(NCC(=O)Nc2ccc(F)cc2F)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is IFHNYADPVLFFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c1-9-5-10(2)16(12(17)6-9)20-8-15(22)21-14-4-3-11(18)7-13(14)19/h3-7,20H,8H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide?
2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 324.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 42125098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).