N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide

C20H23ClN2O3 — CID 108968143

IUPACN-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)(C)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H23ClN2O3/c1-12-7-6-8-15(13(12)2)22-18(24)20(3,4)19(25)23-16-11-14(21)9-10-17(16)26-5/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyRPAAXTXOARWCSF-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.57
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide

N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968143) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108968143
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)(C)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H23ClN2O3/c1-12-7-6-8-15(13(12)2)22-18(24)20(3,4)19(25)23-16-11-14(21)9-10-17(16)26-5/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyRPAAXTXOARWCSF-UHFFFAOYSA-N
XLogP4.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968437
N-(5-chloro-2-methoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962957
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267230
N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108962818
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
N-(5-chloro-2-methoxyphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198111
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982635
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28567804
N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964304

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108968143) is N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide is COc1ccc(Cl)cc1NC(=O)C(C)(C)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is RPAAXTXOARWCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-12-7-6-8-15(13(12)2)22-18(24)20(3,4)19(25)23-16-11-14(21)9-10-17(16)26-5/h6-11H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide?
N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 374.87 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).