3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide

C15H11Cl2F2NO — CID 99633619

IUPAC3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H11Cl2F2NO/c16-10-6-4-9(8-11(10)17)5-7-14(21)20-15-12(18)2-1-3-13(15)19/h1-4,6,8H,5,7H2,(H,20,21)
InChIKeySDASPDBRUSLPNR-UHFFFAOYSA-N
MW330.16 g/mol
LogP4.84
Rot. Bonds4

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

3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide (PubChem CID 99633619) has the molecular formula C15H11Cl2F2NO and a molecular weight of 330.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide
PubChem CID99633619
Molecular FormulaC15H11Cl2F2NO
Molecular Weight330.16 g/mol
Exact Mass329.02
IUPAC Name3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)c(Cl)c1)Nc1c(F)cccc1F
InChIInChI=1S/C15H11Cl2F2NO/c16-10-6-4-9(8-11(10)17)5-7-14(21)20-15-12(18)2-1-3-13(15)19/h1-4,6,8H,5,7H2,(H,20,21)
InChIKeySDASPDBRUSLPNR-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide
CID 100593249
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484
N-(4-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 65498948
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042717
methyl 3-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100595486
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
N-(2,6-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110389270
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113002282
3-(4-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28713241
N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide
CID 108949880
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide (CID 99633619) is 3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide is O=C(CCc1ccc(Cl)c(Cl)c1)Nc1c(F)cccc1F.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is SDASPDBRUSLPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F2NO/c16-10-6-4-9(8-11(10)17)5-7-14(21)20-15-12(18)2-1-3-13(15)19/h1-4,6,8H,5,7H2,(H,20,21).
What are the key properties of 3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide?
3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide has a molecular weight of 330.16 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 99633619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).