3-(2,6-difluoro-3-methylanilino)propanamide

C10H12F2N2O — CID 82818003

IUPAC3-(2,6-difluoro-3-methylanilino)propanamide
SMILESCc1ccc(F)c(NCCC(N)=O)c1F
InChIInChI=1S/C10H12F2N2O/c1-6-2-3-7(11)10(9(6)12)14-5-4-8(13)15/h2-3,14H,4-5H2,1H3,(H2,13,15)
InChIKeyBPLGDWFFSWEONR-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.56
Rot. Bonds4

About 3-(2,6-difluoro-3-methylanilino)propanamide

3-(2,6-difluoro-3-methylanilino)propanamide (PubChem CID 82818003) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-methylanilino)propanamide.

Molecular Properties

Compound Name3-(2,6-difluoro-3-methylanilino)propanamide
PubChem CID82818003
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name3-(2,6-difluoro-3-methylanilino)propanamide
SMILESCc1ccc(F)c(NCCC(N)=O)c1F
InChIInChI=1S/C10H12F2N2O/c1-6-2-3-7(11)10(9(6)12)14-5-4-8(13)15/h2-3,14H,4-5H2,1H3,(H2,13,15)
InChIKeyBPLGDWFFSWEONR-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
CID 82819128
4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide
CID 82818166
methyl 2-(2,6-difluoro-3-methylanilino)acetate
CID 82818418
3-(3,4-dimethylanilino)propanamide
CID 43131963
4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
CID 82819149
3-(3,4,5-trifluoroanilino)propanamide
CID 62810096
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
3-(2-amino-4-fluoro-5-methylanilino)propanamide
CID 103589966
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377
N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
CID 82818970
2,6-difluoro-3-methyl-N-(3-methylsulfanylpropyl)aniline
CID 82818042

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3-methylanilino)propanamide?
The IUPAC name of 3-(2,6-difluoro-3-methylanilino)propanamide (CID 82818003) is 3-(2,6-difluoro-3-methylanilino)propanamide.
What is the SMILES notation for 3-(2,6-difluoro-3-methylanilino)propanamide?
The canonical SMILES for 3-(2,6-difluoro-3-methylanilino)propanamide is Cc1ccc(F)c(NCCC(N)=O)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-methylanilino)propanamide?
The InChIKey is BPLGDWFFSWEONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6-2-3-7(11)10(9(6)12)14-5-4-8(13)15/h2-3,14H,4-5H2,1H3,(H2,13,15).
What are the key properties of 3-(2,6-difluoro-3-methylanilino)propanamide?
3-(2,6-difluoro-3-methylanilino)propanamide has a molecular weight of 214.22 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-methylanilino)propanamide is sourced from PubChem (CID 82818003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).