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

C16H13Cl3N2O2 — CID 108955128

IUPACN-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
SMILESCc1c(Cl)cccc1NC(=O)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c1-9-10(17)4-3-7-13(9)20-14(22)8-15(23)21-16-11(18)5-2-6-12(16)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyISBMWSBYOYBXAX-UHFFFAOYSA-N
MW371.65 g/mol
LogP4.92
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide (PubChem CID 108955128) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
PubChem CID108955128
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
SMILESCc1c(Cl)cccc1NC(=O)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c1-9-10(17)4-3-7-13(9)20-14(22)8-15(23)21-16-11(18)5-2-6-12(16)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyISBMWSBYOYBXAX-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,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N'-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)propanediamide
CID 108955010
N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
CID 108951471
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-2-isocyanoacetamide
CID 108814646
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108953469
N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide
CID 108954940
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N'-(3-chloro-2-methylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947833
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108954677

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide (CID 108955128) is N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide is Cc1c(Cl)cccc1NC(=O)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide?
The InChIKey is ISBMWSBYOYBXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c1-9-10(17)4-3-7-13(9)20-14(22)8-15(23)21-16-11(18)5-2-6-12(16)19/h2-7H,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide?
N-(3-chloro-2-methylphenyl)-N'-(2,6-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-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide is sourced from PubChem (CID 108955128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).