N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide

C20H23ClN2O3 — CID 108963070

IUPACN-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13-16(21)6-5-7-17(13)23-19(25)20(2,3)18(24)22-12-14-8-10-15(26-4)11-9-14/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyOBNPHQTVXWBKMM-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.94
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide

N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108963070) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108963070
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13-16(21)6-5-7-17(13)23-19(25)20(2,3)18(24)22-12-14-8-10-15(26-4)11-9-14/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyOBNPHQTVXWBKMM-UHFFFAOYSA-N
XLogP3.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.94
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-(2,4-dichlorophenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963110
N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108962818
N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438772
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961745
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-2-methylphenyl)-2,2-dimethylpropanediamide
CID 108963181
N-(3-chloro-4-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963073
N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963048
N-(3-chloro-2-methylphenyl)-3-[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111182357
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962082
N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306395
N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960274

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (CID 108963070) is N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is COc1ccc(CNC(=O)C(C)(C)C(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is OBNPHQTVXWBKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13-16(21)6-5-7-17(13)23-19(25)20(2,3)18(24)22-12-14-8-10-15(26-4)11-9-14/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 374.87 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108963070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).