N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide

C16H16F2N2O — CID 39395142

IUPACN-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2c(F)cccc2F)cc1C
InChIInChI=1S/C16H16F2N2O/c1-10-6-7-12(8-11(10)2)19-9-15(21)20-16-13(17)4-3-5-14(16)18/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyBPAAHJKXHYVEIF-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.63
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide

N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide (PubChem CID 39395142) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide
PubChem CID39395142
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2c(F)cccc2F)cc1C
InChIInChI=1S/C16H16F2N2O/c1-10-6-7-12(8-11(10)2)19-9-15(21)20-16-13(17)4-3-5-14(16)18/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyBPAAHJKXHYVEIF-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
CID 62808904
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
methyl 4-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 26417367
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
2-(2,6-difluoroanilino)-N-(2-methylphenyl)acetamide
CID 28879023
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
2-(5-chloro-2-fluoroanilino)-N-(2,6-difluorophenyl)acetamide
CID 43408880
N-(3,5-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 109011204

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide (CID 39395142) is N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)Nc2c(F)cccc2F)cc1C.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide?
The InChIKey is BPAAHJKXHYVEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-6-7-12(8-11(10)2)19-9-15(21)20-16-13(17)4-3-5-14(16)18/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide?
N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide has a molecular weight of 290.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide is sourced from PubChem (CID 39395142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).