N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide

C16H13Cl3N2O2 — CID 108946674

IUPACN-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NCc1ccccc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c17-11-5-2-1-4-10(11)9-20-14(22)8-15(23)21-13-7-3-6-12(18)16(13)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyYTLWJDWXLZVVMU-UHFFFAOYSA-N
MW371.65 g/mol
LogP4.29
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide

N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide (PubChem CID 108946674) has the molecular formula C16H13Cl3N2O2 and a molecular weight of 371.65 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide
PubChem CID108946674
Molecular FormulaC16H13Cl3N2O2
Molecular Weight371.65 g/mol
Exact Mass370.00
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NCc1ccccc1Cl
InChIInChI=1S/C16H13Cl3N2O2/c17-11-5-2-1-4-10(11)9-20-14(22)8-15(23)21-13-7-3-6-12(18)16(13)19/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyYTLWJDWXLZVVMU-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.65
LogP ≤ 54.29
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'-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946354
N-[(2-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108946597
N-[(2-chlorophenyl)methyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108946630
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946920
N-[(2-chlorophenyl)methyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2602916
N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
CID 108946594
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 619799

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide (CID 108946674) is N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide is O=C(CC(=O)Nc1cccc(Cl)c1Cl)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide?
The InChIKey is YTLWJDWXLZVVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2O2/c17-11-5-2-1-4-10(11)9-20-14(22)8-15(23)21-13-7-3-6-12(18)16(13)19/h1-7H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide?
N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide has a molecular weight of 371.65 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide is sourced from PubChem (CID 108946674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).