N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide

C17H18F2N2O — CID 109035743

IUPACN-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
SMILESCc1cc(C)cc(NCCC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O/c1-11-7-12(2)9-14(8-11)20-6-5-17(22)21-16-4-3-13(18)10-15(16)19/h3-4,7-10,20H,5-6H2,1-2H3,(H,21,22)
InChIKeyLTPICCVGSMXTEM-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.02
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide

N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide (PubChem CID 109035743) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
PubChem CID109035743
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
SMILESCc1cc(C)cc(NCCC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O/c1-11-7-12(2)9-14(8-11)20-6-5-17(22)21-16-4-3-13(18)10-15(16)19/h3-4,7-10,20H,5-6H2,1-2H3,(H,21,22)
InChIKeyLTPICCVGSMXTEM-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109042099
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035689
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109041838
3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109035686

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide (CID 109035743) is N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide is Cc1cc(C)cc(NCCC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide?
The InChIKey is LTPICCVGSMXTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-11-7-12(2)9-14(8-11)20-6-5-17(22)21-16-4-3-13(18)10-15(16)19/h3-4,7-10,20H,5-6H2,1-2H3,(H,21,22).
What are the key properties of N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide?
N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide has a molecular weight of 304.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide is sourced from PubChem (CID 109035743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).