N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide

C15H11ClF2N2O2 — CID 108954936

IUPACN-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1c(F)cccc1F)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClF2N2O2/c16-9-4-1-2-7-12(9)19-13(21)8-14(22)20-15-10(17)5-3-6-11(15)18/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyFUAKWXSOECWNAV-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.59
Rot. Bonds4

About N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide

N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide (PubChem CID 108954936) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide
PubChem CID108954936
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC NameN-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1c(F)cccc1F)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClF2N2O2/c16-9-4-1-2-7-12(9)19-13(21)8-14(22)20-15-10(17)5-3-6-11(15)18/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyFUAKWXSOECWNAV-UHFFFAOYSA-N
XLogP3.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108500285
N'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946354
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956907
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042717
N-(2-chlorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 55099714
N-(2,4-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 78822630
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide (CID 108954936) is N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide is O=C(CC(=O)Nc1c(F)cccc1F)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide?
The InChIKey is FUAKWXSOECWNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c16-9-4-1-2-7-12(9)19-13(21)8-14(22)20-15-10(17)5-3-6-11(15)18/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide?
N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide has a molecular weight of 324.71 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide is sourced from PubChem (CID 108954936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).