2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide

C14H20F2N2O — CID 82817932

IUPAC2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1c(F)ccc(C)c1F
InChIInChI=1S/C14H20F2N2O/c1-4-5-10(3)18-12(19)8-17-14-11(15)7-6-9(2)13(14)16/h6-7,10,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyYTSSXGRTFBRKQD-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.99
Rot. Bonds6

About 2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide

2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide (PubChem CID 82817932) 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-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide
PubChem CID82817932
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1c(F)ccc(C)c1F
InChIInChI=1S/C14H20F2N2O/c1-4-5-10(3)18-12(19)8-17-14-11(15)7-6-9(2)13(14)16/h6-7,10,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyYTSSXGRTFBRKQD-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 82818577
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
methyl 2-(2,6-difluoro-3-methylanilino)acetate
CID 82818418
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
CID 82850159
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377
1-(2,6-difluorophenyl)-3-[(2S)-pentan-2-yl]thiourea
CID 100609838
3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
CID 82819128
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-pentan-2-ylacetamide
CID 65474687

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide (CID 82817932) is 2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNc1c(F)ccc(C)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide?
The InChIKey is YTSSXGRTFBRKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-5-10(3)18-12(19)8-17-14-11(15)7-6-9(2)13(14)16/h6-7,10,17H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide?
2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide has a molecular weight of 270.32 g/mol, XLogP of 2.99, 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-pentan-2-ylacetamide is sourced from PubChem (CID 82817932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).