N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide

C16H13Cl3N2O2 — CID 108955225

IUPACN-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
SMILESCc1cc(Cl)ccc1NC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c1-9-6-10(17)2-4-13(9)20-15(22)8-16(23)21-14-5-3-11(18)7-12(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyOVDFFQFJKXKJRV-UHFFFAOYSA-N
MW371.65 g/mol
LogP4.92
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide

N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide (PubChem CID 108955225) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
PubChem CID108955225
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
SMILESCc1cc(Cl)ccc1NC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c1-9-6-10(17)2-4-13(9)20-15(22)8-16(23)21-14-5-3-11(18)7-12(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyOVDFFQFJKXKJRV-UHFFFAOYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 54.92
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-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108940886
4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
CID 86085592
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
N-(2,4-dichlorophenyl)propanamide
CID 923083
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
CID 108954023
N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
CID 108941850
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide
CID 108954244

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide (CID 108955225) is N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide is Cc1cc(Cl)ccc1NC(=O)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide?
The InChIKey is OVDFFQFJKXKJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c1-9-6-10(17)2-4-13(9)20-15(22)8-16(23)21-14-5-3-11(18)7-12(14)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide?
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide has a molecular weight of 371.65 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide is sourced from PubChem (CID 108955225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).