4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide

C13H18F2N2O — CID 82818166

IUPAC4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide
SMILESCc1ccc(F)c(NCCCC(=O)N(C)C)c1F
InChIInChI=1S/C13H18F2N2O/c1-9-6-7-10(14)13(12(9)15)16-8-4-5-11(18)17(2)3/h6-7,16H,4-5,8H2,1-3H3
InChIKeyLLQDHBXWXUHUIK-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.55
Rot. Bonds5

About 4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide

4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide (PubChem CID 82818166) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide
PubChem CID82818166
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide
SMILESCc1ccc(F)c(NCCCC(=O)N(C)C)c1F
InChIInChI=1S/C13H18F2N2O/c1-9-6-7-10(14)13(12(9)15)16-8-4-5-11(18)17(2)3/h6-7,16H,4-5,8H2,1-3H3
InChIKeyLLQDHBXWXUHUIK-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
CID 82819128
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
2,6-difluoro-3-methyl-N-(3-methylsulfanylpropyl)aniline
CID 82818042
methyl 2-(2,6-difluoro-3-methylanilino)acetate
CID 82818418
4-(4-cyanoanilino)-N,N-dimethylbutanamide
CID 54983863
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
CID 82818970
ethyl 4-(6-amino-2,3-difluoroanilino)butanoate
CID 64576159
N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide
CID 82819991
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
CID 54941099
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N,N-dimethylbutanamide
CID 81380915

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide?
The IUPAC name of 4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide (CID 82818166) is 4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide is Cc1ccc(F)c(NCCCC(=O)N(C)C)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide?
The InChIKey is LLQDHBXWXUHUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9-6-7-10(14)13(12(9)15)16-8-4-5-11(18)17(2)3/h6-7,16H,4-5,8H2,1-3H3.
What are the key properties of 4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide?
4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide has a molecular weight of 256.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide is sourced from PubChem (CID 82818166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).