N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide

C18H19ClN2O2 — CID 108953469

IUPACN-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2cccc(Cl)c2C)c(C)c1
InChIInChI=1S/C18H19ClN2O2/c1-11-7-8-15(12(2)9-11)20-17(22)10-18(23)21-16-6-4-5-14(19)13(16)3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJFQCFCSIDWASGV-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.23
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide (PubChem CID 108953469) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
PubChem CID108953469
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2cccc(Cl)c2C)c(C)c1
InChIInChI=1S/C18H19ClN2O2/c1-11-7-8-15(12(2)9-11)20-17(22)10-18(23)21-16-6-4-5-14(19)13(16)3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyJFQCFCSIDWASGV-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.23
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-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100746423
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N'-(3-chloro-2-methylphenyl)-N-(3-chlorophenyl)propanediamide
CID 108954940
N'-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)propanediamide
CID 108955010
N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
CID 108951471
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723823
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-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40753222

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide (CID 108953469) is N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)Nc2cccc(Cl)c2C)c(C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide?
The InChIKey is JFQCFCSIDWASGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-11-7-8-15(12(2)9-11)20-17(22)10-18(23)21-16-6-4-5-14(19)13(16)3/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide?
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide has a molecular weight of 330.82 g/mol, XLogP of 4.23, 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'-(2,4-dimethylphenyl)propanediamide is sourced from PubChem (CID 108953469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).