N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide

C20H23ClN2O2 — CID 108968011

IUPACN-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C20H23ClN2O2/c1-12-8-13(2)10-16(9-12)23-19(25)20(4,5)18(24)22-15-7-6-14(3)17(21)11-15/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyKHBHDJGUYRNIOE-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.87
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide

N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968011) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108968011
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C20H23ClN2O2/c1-12-8-13(2)10-16(9-12)23-19(25)20(4,5)18(24)22-15-7-6-14(3)17(21)11-15/h6-11H,1-5H3,(H,22,24)(H,23,25)
InChIKeyKHBHDJGUYRNIOE-UHFFFAOYSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.87
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-4-methylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967810
3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
CID 63679947
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967996
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965837
N-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968044
N-(3-chloro-4-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963073
N-(3-chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964469
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108968011) is N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide is Cc1cc(C)cc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is KHBHDJGUYRNIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-12-8-13(2)10-16(9-12)23-19(25)20(4,5)18(24)22-15-7-6-14(3)17(21)11-15/h6-11H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 358.87 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).