3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide

C12H16F2N2O — CID 82819128

IUPAC3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
SMILESCc1ccc(F)c(NCCC(=O)N(C)C)c1F
InChIInChI=1S/C12H16F2N2O/c1-8-4-5-9(13)12(11(8)14)15-7-6-10(17)16(2)3/h4-5,15H,6-7H2,1-3H3
InChIKeyTULPSBXTNLAXMJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.16
Rot. Bonds4

About 3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide

3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide (PubChem CID 82819128) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
PubChem CID82819128
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
SMILESCc1ccc(F)c(NCCC(=O)N(C)C)c1F
InChIInChI=1S/C12H16F2N2O/c1-8-4-5-9(13)12(11(8)14)15-7-6-10(17)16(2)3/h4-5,15H,6-7H2,1-3H3
InChIKeyTULPSBXTNLAXMJ-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide
CID 82818166
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
3-(4-chloroanilino)-N,N-dimethylpropanamide
CID 60960793
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
3-anilino-N,N-dimethylpropanamide
CID 60961994
methyl 2-(2,6-difluoro-3-methylanilino)acetate
CID 82818418
N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
CID 82818970
3-(4-tert-butylanilino)-N,N-dimethylpropanamide
CID 54879290
3-(4-acetamidoanilino)-N,N-dimethylpropanamide
CID 54879243
3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
2,6-difluoro-3-methyl-N-(3-methylbutyl)aniline
CID 82816283
4-[[3-(dimethylamino)-3-oxopropyl]amino]benzoic acid
CID 62230699

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide (CID 82819128) is 3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide is Cc1ccc(F)c(NCCC(=O)N(C)C)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide?
The InChIKey is TULPSBXTNLAXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8-4-5-9(13)12(11(8)14)15-7-6-10(17)16(2)3/h4-5,15H,6-7H2,1-3H3.
What are the key properties of 3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide?
3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide has a molecular weight of 242.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 82819128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).