N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide

C17H15Cl2N3O3 — CID 108956248

IUPACN-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-10(23)20-13-3-2-4-14(8-13)21-16(24)9-17(25)22-15-6-11(18)5-12(19)7-15/h2-8H,9H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyGHEZXJDHEKKAAV-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.92
Rot. Bonds5

About N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide

N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide (PubChem CID 108956248) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
PubChem CID108956248
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC NameN-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-10(23)20-13-3-2-4-14(8-13)21-16(24)9-17(25)22-15-6-11(18)5-12(19)7-15/h2-8H,9H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyGHEZXJDHEKKAAV-UHFFFAOYSA-N
XLogP3.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
N-(3-acetamidophenyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 4797149
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide?
The IUPAC name of N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide (CID 108956248) is N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide.
What is the SMILES notation for N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide?
The canonical SMILES for N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide is CC(=O)Nc1cccc(NC(=O)CC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide?
The InChIKey is GHEZXJDHEKKAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-10(23)20-13-3-2-4-14(8-13)21-16(24)9-17(25)22-15-6-11(18)5-12(19)7-15/h2-8H,9H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide?
N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide has a molecular weight of 380.23 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide is sourced from PubChem (CID 108956248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).