N,N'-bis(5-chloro-2-methylphenyl)propanediamide

C17H16Cl2N2O2 — CID 1340673

IUPACN,N'-bis(5-chloro-2-methylphenyl)propanediamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H16Cl2N2O2/c1-10-3-5-12(18)7-14(10)20-16(22)9-17(23)21-15-8-13(19)6-4-11(15)2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPGUDFIVTDJEXJL-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.58
Rot. Bonds4

About N,N'-bis(5-chloro-2-methylphenyl)propanediamide

N,N'-bis(5-chloro-2-methylphenyl)propanediamide (PubChem CID 1340673) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N,N'-bis(5-chloro-2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(5-chloro-2-methylphenyl)propanediamide
PubChem CID1340673
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN,N'-bis(5-chloro-2-methylphenyl)propanediamide
SMILESCc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H16Cl2N2O2/c1-10-3-5-12(18)7-14(10)20-16(22)9-17(23)21-15-8-13(19)6-4-11(15)2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPGUDFIVTDJEXJL-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.58
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'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)propanediamide
CID 108955160
N-(5-chloro-2-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955176
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide
CID 131904454
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604822
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-chloro-2-methylphenyl)propanediamide?
The IUPAC name of N,N'-bis(5-chloro-2-methylphenyl)propanediamide (CID 1340673) is N,N'-bis(5-chloro-2-methylphenyl)propanediamide.
What is the SMILES notation for N,N'-bis(5-chloro-2-methylphenyl)propanediamide?
The canonical SMILES for N,N'-bis(5-chloro-2-methylphenyl)propanediamide is Cc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N,N'-bis(5-chloro-2-methylphenyl)propanediamide?
The InChIKey is PGUDFIVTDJEXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-10-3-5-12(18)7-14(10)20-16(22)9-17(23)21-15-8-13(19)6-4-11(15)2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(5-chloro-2-methylphenyl)propanediamide?
N,N'-bis(5-chloro-2-methylphenyl)propanediamide has a molecular weight of 351.23 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-chloro-2-methylphenyl)propanediamide is sourced from PubChem (CID 1340673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).