N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide

C16H14Cl2N2O2 — CID 108954873

IUPACN-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2ccccc2Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c1-10-6-7-11(8-13(10)18)19-15(21)9-16(22)20-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyQTKPAZQOIGJPCA-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.27
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide

N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide (PubChem CID 108954873) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
PubChem CID108954873
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2ccccc2Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2/c1-10-6-7-11(8-13(10)18)19-15(21)9-16(22)20-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyQTKPAZQOIGJPCA-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

3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
N-(3-chloro-4-methylphenyl)-N'-[(2-chlorophenyl)methylideneamino]propanediamide
CID 3421527
N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide
CID 108955273
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
N'-(5-chloro-2-methoxyphenyl)-N-(3-chloro-4-methylphenyl)propanediamide
CID 108955242
2-[4-[(2-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126274200
N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043
N'-(3-chloro-4-methylphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955295
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-[2-[2-(3-chloro-4-methylanilino)-2-oxoacetyl]phenyl]propanamide
CID 17370124
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide (CID 108954873) is N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)Nc2ccccc2Cl)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide?
The InChIKey is QTKPAZQOIGJPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-10-6-7-11(8-13(10)18)19-15(21)9-16(22)20-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide?
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)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-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide is sourced from PubChem (CID 108954873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).