3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide

C15H12Cl2F2N2O — CID 109042717

IUPAC3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
SMILESO=C(CCNc1c(Cl)cccc1Cl)Nc1c(F)cccc1F
InChIInChI=1S/C15H12Cl2F2N2O/c16-9-3-1-4-10(17)14(9)20-8-7-13(22)21-15-11(18)5-2-6-12(15)19/h1-6,20H,7-8H2,(H,21,22)
InChIKeyWJCFZTOJLGSLHP-UHFFFAOYSA-N
MW345.18 g/mol
LogP4.71
Rot. Bonds5

About 3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide

3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide (PubChem CID 109042717) has the molecular formula C15H12Cl2F2N2O and a molecular weight of 345.18 g/mol. Its IUPAC name is 3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
PubChem CID109042717
Molecular FormulaC15H12Cl2F2N2O
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC Name3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
SMILESO=C(CCNc1c(Cl)cccc1Cl)Nc1c(F)cccc1F
InChIInChI=1S/C15H12Cl2F2N2O/c16-9-3-1-4-10(17)14(9)20-8-7-13(22)21-15-11(18)5-2-6-12(15)19/h1-6,20H,7-8H2,(H,21,22)
InChIKeyWJCFZTOJLGSLHP-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
3-(3-chloro-4-fluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038862
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
3-(2,6-diethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109037146
N-(2,6-dichlorophenyl)-3-(4-fluoroanilino)propanamide
CID 109037778
N-(3-chloro-4-methylphenyl)-3-(2,6-difluoroanilino)propanamide
CID 109038664
N-[(2-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021465
3-(5-chloro-2-methylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109038491
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021782
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide (CID 109042717) is 3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide is O=C(CCNc1c(Cl)cccc1Cl)Nc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is WJCFZTOJLGSLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N2O/c16-9-3-1-4-10(17)14(9)20-8-7-13(22)21-15-11(18)5-2-6-12(15)19/h1-6,20H,7-8H2,(H,21,22).
What are the key properties of 3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide?
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide has a molecular weight of 345.18 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 109042717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).