N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide

C17H16F2N2O2 — CID 108953753

IUPACN'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide
SMILESCc1cc(C)cc(NC(=O)CC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H16F2N2O2/c1-10-6-11(2)8-12(7-10)20-15(22)9-16(23)21-17-13(18)4-3-5-14(17)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGDPMJFHUYDONSE-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.55
Rot. Bonds4

About N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide

N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide (PubChem CID 108953753) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide
PubChem CID108953753
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide
SMILESCc1cc(C)cc(NC(=O)CC(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C17H16F2N2O2/c1-10-6-11(2)8-12(7-10)20-15(22)9-16(23)21-17-13(18)4-3-5-14(17)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGDPMJFHUYDONSE-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.55
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-(2,6-difluorophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21368263
N'-(2,6-difluorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954413
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956121
[2-(2,6-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729153
N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952910
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
N-(3,5-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 109011204
N-(3-chloro-4-methoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108955436
N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512223
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108954936

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide (CID 108953753) is N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide is Cc1cc(C)cc(NC(=O)CC(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide?
The InChIKey is GDPMJFHUYDONSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-10-6-11(2)8-12(7-10)20-15(22)9-16(23)21-17-13(18)4-3-5-14(17)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide?
N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide has a molecular weight of 318.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide is sourced from PubChem (CID 108953753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).