N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide

C16H15ClF2N2O — CID 109008818

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
SMILESCc1cc(C)c(NC(=O)CNc2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C16H15ClF2N2O/c1-9-6-10(2)15(11(17)7-9)21-14(22)8-20-16-12(18)4-3-5-13(16)19/h3-7,20H,8H2,1-2H3,(H,21,22)
InChIKeyDZFAIRCCMJXSRB-UHFFFAOYSA-N
MW324.76 g/mol
LogP4.29
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide (PubChem CID 109008818) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
PubChem CID109008818
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
SMILESCc1cc(C)c(NC(=O)CNc2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C16H15ClF2N2O/c1-9-6-10(2)15(11(17)7-9)21-14(22)8-20-16-12(18)4-3-5-13(16)19/h3-7,20H,8H2,1-2H3,(H,21,22)
InChIKeyDZFAIRCCMJXSRB-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
2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
CID 42125202
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 112998255
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 42125098
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
N-(2-chloro-4,6-dimethylphenyl)-2-(3-cyanoanilino)acetamide
CID 109008815
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201725
N-(2,4-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 78822630
N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108955386
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide (CID 109008818) is N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide is Cc1cc(C)c(NC(=O)CNc2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide?
The InChIKey is DZFAIRCCMJXSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c1-9-6-10(2)15(11(17)7-9)21-14(22)8-20-16-12(18)4-3-5-13(16)19/h3-7,20H,8H2,1-2H3,(H,21,22).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)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 N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide is sourced from PubChem (CID 109008818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).