N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide

C15H11Cl3N2O2 — CID 108955063

IUPACN-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl3N2O2/c16-9-1-4-11(5-2-9)19-14(21)8-15(22)20-13-6-3-10(17)7-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyIPVKRLXNVUWOTN-UHFFFAOYSA-N
MW357.62 g/mol
LogP4.61
Rot. Bonds4

About N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide

N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide (PubChem CID 108955063) has the molecular formula C15H11Cl3N2O2 and a molecular weight of 357.62 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
PubChem CID108955063
Molecular FormulaC15H11Cl3N2O2
Molecular Weight357.62 g/mol
Exact Mass355.99
IUPAC NameN-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl3N2O2/c16-9-1-4-11(5-2-9)19-14(21)8-15(22)20-13-6-3-10(17)7-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyIPVKRLXNVUWOTN-UHFFFAOYSA-N
XLogP4.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.61
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

methyl 4-[[3-(2,4-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956377
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(2,4-dichlorophenyl)propanamide
CID 923083
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729343
N-(2,4-dichlorophenyl)-2-isocyanoacetamide
CID 108814659
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide
CID 108941910
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide?
The IUPAC name of N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide (CID 108955063) is N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide is O=C(CC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide?
The InChIKey is IPVKRLXNVUWOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2/c16-9-1-4-11(5-2-9)19-14(21)8-15(22)20-13-6-3-10(17)7-12(13)18/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide?
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide has a molecular weight of 357.62 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide is sourced from PubChem (CID 108955063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).