N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide

C16H14Cl2N2O2 — CID 108953078

IUPACN'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-10-4-2-5-11(8-10)19-14(21)9-15(22)20-16-12(17)6-3-7-13(16)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyZFXHGJBFDAILFP-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.27
Rot. Bonds4

About N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide

N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide (PubChem CID 108953078) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
PubChem CID108953078
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-10-4-2-5-11(8-10)19-14(21)9-15(22)20-16-12(17)6-3-7-13(16)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyZFXHGJBFDAILFP-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.27
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-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide
CID 108956848
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596
N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide
CID 108954078
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
[2-(3-methylanilino)-2-oxoethyl] 2-chlorobenzoate
CID 2624326
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide
CID 107574072
N-(2,3-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 51158819
N-(2,6-dichlorophenyl)-2-(4-methylanilino)acetamide
CID 39445182
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
CID 7731405

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide (CID 108953078) is N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide is Cc1cccc(NC(=O)CC(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide?
The InChIKey is ZFXHGJBFDAILFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-10-4-2-5-11(8-10)19-14(21)9-15(22)20-16-12(17)6-3-7-13(16)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide?
N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide has a molecular weight of 337.21 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108953078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).