2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide

C14H20F2N2O — CID 82818577

IUPAC2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide
SMILESCc1ccc(F)c(NCC(=O)NCCC(C)C)c1F
InChIInChI=1S/C14H20F2N2O/c1-9(2)6-7-17-12(19)8-18-14-11(15)5-4-10(3)13(14)16/h4-5,9,18H,6-8H2,1-3H3,(H,17,19)
InChIKeyYPKXMVQCWFBWPL-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.85
Rot. Bonds6

About 2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide

2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide (PubChem CID 82818577) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide
PubChem CID82818577
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide
SMILESCc1ccc(F)c(NCC(=O)NCCC(C)C)c1F
InChIInChI=1S/C14H20F2N2O/c1-9(2)6-7-17-12(19)8-18-14-11(15)5-4-10(3)13(14)16/h4-5,9,18H,6-8H2,1-3H3,(H,17,19)
InChIKeyYPKXMVQCWFBWPL-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide
CID 82817932
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide
CID 113252866
2-(2,6-diethylanilino)-N-(3-methylbutyl)acetamide
CID 62327341
methyl 2-(2,6-difluoro-3-methylanilino)acetate
CID 82818418
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
N-(3-methylbutyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 60672877
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
2-(5-cyano-2-methylanilino)-N-(3-methylbutyl)acetamide
CID 47475199
N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide
CID 60685501
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112995226

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide (CID 82818577) is 2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide is Cc1ccc(F)c(NCC(=O)NCCC(C)C)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is YPKXMVQCWFBWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(2)6-7-17-12(19)8-18-14-11(15)5-4-10(3)13(14)16/h4-5,9,18H,6-8H2,1-3H3,(H,17,19).
What are the key properties of 2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide?
2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 270.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 82818577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).