3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide

C17H14Cl2F2N2O2 — CID 113135637

IUPAC3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14Cl2F2N2O2/c1-10(24)23(11-5-6-14(20)15(21)9-11)8-7-16(25)22-17-12(18)3-2-4-13(17)19/h2-6,9H,7-8H2,1H3,(H,22,25)
InChIKeyKCRFZTWQFASYMX-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.65
Rot. Bonds5

About 3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide

3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 113135637) has the molecular formula C17H14Cl2F2N2O2 and a molecular weight of 387.21 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide
PubChem CID113135637
Molecular FormulaC17H14Cl2F2N2O2
Molecular Weight387.21 g/mol
Exact Mass386.04
IUPAC Name3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14Cl2F2N2O2/c1-10(24)23(11-5-6-14(20)15(21)9-11)8-7-16(25)22-17-12(18)3-2-4-13(17)19/h2-6,9H,7-8H2,1H3,(H,22,25)
InChIKeyKCRFZTWQFASYMX-UHFFFAOYSA-N
XLogP4.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113132959
3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
CID 113135614
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127797
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide (CID 113135637) is 3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is KCRFZTWQFASYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N2O2/c1-10(24)23(11-5-6-14(20)15(21)9-11)8-7-16(25)22-17-12(18)3-2-4-13(17)19/h2-6,9H,7-8H2,1H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide?
3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 387.21 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 113135637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).