N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide

C20H23ClN2O2 — CID 108962820

IUPACN-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-4-14-7-11-17(12-8-14)23-19(25)20(2,3)18(24)22-13-15-5-9-16(21)10-6-15/h5-12H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUQRGLODCVXPEKX-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.18
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide

N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108962820) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108962820
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-4-14-7-11-17(12-8-14)23-19(25)20(2,3)18(24)22-13-15-5-9-16(21)10-6-15/h5-12H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyUQRGLODCVXPEKX-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.18
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'-(4-ethylphenyl)-2,2-dimethylpropanediamide 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-[2-(4-chlorophenyl)ethyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108965059
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)-2,2-dimethylpropanediamide
CID 108962863
N-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819
N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108957863
N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963397
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108962818
N-[(4-chlorophenyl)methyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108962843
N-(4-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968199
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958370
N-[2-(4-chlorophenyl)ethyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108965075

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide (CID 108962820) is N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide is CCc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is UQRGLODCVXPEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-4-14-7-11-17(12-8-14)23-19(25)20(2,3)18(24)22-13-15-5-9-16(21)10-6-15/h5-12H,4,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 358.87 g/mol, XLogP of 4.18, 6 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'-(4-ethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108962820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).