N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide

C20H23ClN2O2 — CID 108961745

IUPACN-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
SMILESCc1ccccc1CNC(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C20H23ClN2O2/c1-13-8-5-6-9-15(13)12-22-18(24)20(3,4)19(25)23-17-11-7-10-16(21)14(17)2/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySHTWENPCYOHYLF-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.24
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide

N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide (PubChem CID 108961745) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
PubChem CID108961745
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
SMILESCc1ccccc1CNC(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C20H23ClN2O2/c1-13-8-5-6-9-15(13)12-22-18(24)20(3,4)19(25)23-17-11-7-10-16(21)14(17)2/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeySHTWENPCYOHYLF-UHFFFAOYSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.24
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-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963070
6-N-(3-chloro-2-methylphenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097382
N-(3-chloro-2-methylphenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960274
N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108962818
N-(1,3-benzodioxol-5-ylmethyl)-N'-(3-chloro-2-methylphenyl)-2,2-dimethylpropanediamide
CID 108963181
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961727
N-(3-chloro-2-methylphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967942
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961763
1-[(2-bromophenyl)methyl]-3-(3-chloro-2-methylphenyl)urea
CID 17379764

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide (CID 108961745) is N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide is Cc1ccccc1CNC(=O)C(C)(C)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
The InChIKey is SHTWENPCYOHYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13-8-5-6-9-15(13)12-22-18(24)20(3,4)19(25)23-17-11-7-10-16(21)14(17)2/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide has a molecular weight of 358.87 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108961745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).