N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide

C15H13F3N2O — CID 62808904

IUPACN-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
SMILESCc1cc(NCC(=O)Nc2c(F)cccc2F)ccc1F
InChIInChI=1S/C15H13F3N2O/c1-9-7-10(5-6-11(9)16)19-8-14(21)20-15-12(17)3-2-4-13(15)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyVZIGMUKAWMIXIQ-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.46
Rot. Bonds4

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

N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide (PubChem CID 62808904) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
PubChem CID62808904
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide
SMILESCc1cc(NCC(=O)Nc2c(F)cccc2F)ccc1F
InChIInChI=1S/C15H13F3N2O/c1-9-7-10(5-6-11(9)16)19-8-14(21)20-15-12(17)3-2-4-13(15)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyVZIGMUKAWMIXIQ-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide
CID 39395142
methyl 4-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 26417367
N-(3,5-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 109011204
2-(5-chloro-2-fluoroanilino)-N-(2,6-difluorophenyl)acetamide
CID 43408880
2-(2,6-difluoroanilino)-N-(2-methylphenyl)acetamide
CID 28879023
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
butan-1-amine;2-(4-fluoro-3-methylanilino)-N-hydroxyacetamide
CID 143730587
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide (CID 62808904) is N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide is Cc1cc(NCC(=O)Nc2c(F)cccc2F)ccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide?
The InChIKey is VZIGMUKAWMIXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-9-7-10(5-6-11(9)16)19-8-14(21)20-15-12(17)3-2-4-13(15)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide?
N-(2,6-difluorophenyl)-2-(4-fluoro-3-methylanilino)acetamide has a molecular weight of 294.28 g/mol, XLogP of 3.46, 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-(4-fluoro-3-methylanilino)acetamide is sourced from PubChem (CID 62808904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).