3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide

C19H20F2N2O2 — CID 113135516

IUPAC3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c1-14(24)23(16-8-9-17(20)18(21)12-16)11-10-19(25)22(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyLGOXFJKJEJTLOX-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.37
Rot. Bonds6

About 3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide

3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide (PubChem CID 113135516) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide
PubChem CID113135516
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide
SMILESCC(=O)N(CCC(=O)N(C)Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O2/c1-14(24)23(16-8-9-17(20)18(21)12-16)11-10-19(25)22(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyLGOXFJKJEJTLOX-UHFFFAOYSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide
CID 113133000
3-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113133420
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847
3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
CID 113129400
3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide
CID 113134517
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide
CID 113134443
3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
CID 113132424
3-(N-acetyl-3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113135537
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113147230

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide (CID 113135516) is 3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide is CC(=O)N(CCC(=O)N(C)Cc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide?
The InChIKey is LGOXFJKJEJTLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-14(24)23(16-8-9-17(20)18(21)12-16)11-10-19(25)22(2)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide?
3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide has a molecular weight of 346.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 113135516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).