4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide

C24H23Cl2NO — CID 59121264

IUPAC4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(CC(C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H23Cl2NO/c1-16(14-19-9-12-21(25)22(26)15-19)13-18-7-10-20(11-8-18)24(28)27-23-6-4-3-5-17(23)2/h3-12,15-16H,13-14H2,1-2H3,(H,27,28)
InChIKeyNPAFEQSJUMTRGA-UHFFFAOYSA-N
MW412.36 g/mol
LogP6.98
Rot. Bonds6

About 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide

4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide (PubChem CID 59121264) has the molecular formula C24H23Cl2NO and a molecular weight of 412.36 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide
PubChem CID59121264
Molecular FormulaC24H23Cl2NO
Molecular Weight412.36 g/mol
Exact Mass411.12
IUPAC Name4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(CC(C)Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H23Cl2NO/c1-16(14-19-9-12-21(25)22(26)15-19)13-18-7-10-20(11-8-18)24(28)27-23-6-4-3-5-17(23)2/h3-12,15-16H,13-14H2,1-2H3,(H,27,28)
InChIKeyNPAFEQSJUMTRGA-UHFFFAOYSA-N
XLogP6.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.36
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide
CID 72522754
4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide
CID 59121252
4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(3-methylbutan-2-yl)benzamide
CID 59121250
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide
CID 70141116
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
4-(acetamidomethyl)-N-(2-methylphenyl)benzamide
CID 18104261
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline
CID 59121257
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide (CID 59121264) is 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(CC(C)Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide?
The InChIKey is NPAFEQSJUMTRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO/c1-16(14-19-9-12-21(25)22(26)15-19)13-18-7-10-20(11-8-18)24(28)27-23-6-4-3-5-17(23)2/h3-12,15-16H,13-14H2,1-2H3,(H,27,28).
What are the key properties of 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide?
4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide has a molecular weight of 412.36 g/mol, XLogP of 6.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 59121264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).