N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide

C18H18Cl2N2O2 — CID 108954244

IUPACN-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-3-12-6-4-5-11(2)18(12)22-17(24)10-16(23)21-15-8-7-13(19)9-14(15)20/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJYIQTLPXJWSCBP-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.83
Rot. Bonds5

About N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide

N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide (PubChem CID 108954244) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide
PubChem CID108954244
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide
SMILESCCc1cccc(C)c1NC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O2/c1-3-12-6-4-5-11(2)18(12)22-17(24)10-16(23)21-15-8-7-13(19)9-14(15)20/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJYIQTLPXJWSCBP-UHFFFAOYSA-N
XLogP4.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.83
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'-(2-ethyl-6-methylphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108954255
2-(5-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2649472
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
N-(4-chloro-2-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108512069
N-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996624
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126413987
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2-chlorophenyl)-2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9434312
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113172088
N-(2,4-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 78822630

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide (CID 108954244) is N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide is CCc1cccc(C)c1NC(=O)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide?
The InChIKey is JYIQTLPXJWSCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-3-12-6-4-5-11(2)18(12)22-17(24)10-16(23)21-15-8-7-13(19)9-14(15)20/h4-9H,3,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide?
N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide has a molecular weight of 365.26 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide is sourced from PubChem (CID 108954244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).