N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide

C18H19ClN2O2 — CID 108946748

IUPACN-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide
SMILESCc1cccc(C)c1NC(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-4-3-5-13(2)18(12)21-17(23)10-16(22)20-11-14-6-8-15(19)9-7-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHYGWAISESXZGJR-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.60
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide

N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide (PubChem CID 108946748) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide
PubChem CID108946748
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide
SMILESCc1cccc(C)c1NC(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-4-3-5-13(2)18(12)21-17(23)10-16(22)20-11-14-6-8-15(19)9-7-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHYGWAISESXZGJR-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.60
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-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108946756
N-[(4-chlorophenyl)methyl]-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566497
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9034505
ethyl 2-[[3-[(4-chlorophenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946830
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437
2-(2,4-dichlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 7676714

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide (CID 108946748) is N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide is Cc1cccc(C)c1NC(=O)CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide?
The InChIKey is HYGWAISESXZGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-4-3-5-13(2)18(12)21-17(23)10-16(22)20-11-14-6-8-15(19)9-7-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide?
N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide has a molecular weight of 330.82 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide is sourced from PubChem (CID 108946748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).