N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

C19H20Cl2N2O2 — CID 108954608

IUPACN-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-11(2)16-6-4-5-12(3)19(16)23-18(25)10-17(24)22-15-8-13(20)7-14(21)9-15/h4-9,11H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDRPJVAJHJHXRJS-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.39
Rot. Bonds5

About N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (PubChem CID 108954608) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
PubChem CID108954608
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c1-11(2)16-6-4-5-12(3)19(16)23-18(25)10-17(24)22-15-8-13(20)7-14(21)9-15/h4-9,11H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDRPJVAJHJHXRJS-UHFFFAOYSA-N
XLogP5.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.39
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-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954586
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
N-(4-cyanophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954616
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
N-(3,5-dichlorophenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035918
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9331155
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108951086

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (CID 108954608) is N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is Cc1cccc(C(C)C)c1NC(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The InChIKey is DRPJVAJHJHXRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-11(2)16-6-4-5-12(3)19(16)23-18(25)10-17(24)22-15-8-13(20)7-14(21)9-15/h4-9,11H,10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide has a molecular weight of 379.29 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108954608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).