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

C19H21ClN2O2 — CID 108946756

IUPACN-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)NCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-8-13(2)19(14(3)9-12)22-18(24)10-17(23)21-11-15-4-6-16(20)7-5-15/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLTSULGUCHDFKIY-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.91
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108946756) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108946756
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)NCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-8-13(2)19(14(3)9-12)22-18(24)10-17(23)21-11-15-4-6-16(20)7-5-15/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLTSULGUCHDFKIY-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-N'-(2,6-dimethylphenyl)propanediamide
CID 108946748
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998149
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945626
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxopyrazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 22520305
2-[(4-chlorophenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109257723
(Z)-3-[(4-chlorophenyl)methylamino]-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851071
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-chlorobenzoate
CID 7483934

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide (CID 108946756) is N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide is Cc1cc(C)c(NC(=O)CC(=O)NCc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is LTSULGUCHDFKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-8-13(2)19(14(3)9-12)22-18(24)10-17(23)21-11-15-4-6-16(20)7-5-15/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 344.84 g/mol, XLogP of 3.91, 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'-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108946756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).