4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide

C24H21Cl2NO — CID 72522754

IUPAC4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide
SMILESCC(=CCc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C24H21Cl2NO/c1-16(7-8-18-9-14-21(25)22(26)15-18)19-10-12-20(13-11-19)24(28)27-23-6-4-3-5-17(23)2/h3-7,9-15H,8H2,1-2H3,(H,27,28)
InChIKeyGFWKKQTWNFZHAN-UHFFFAOYSA-N
MW410.34 g/mol
LogP7.20
Rot. Bonds5

About 4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide

4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide (PubChem CID 72522754) has the molecular formula C24H21Cl2NO and a molecular weight of 410.34 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide
PubChem CID72522754
Molecular FormulaC24H21Cl2NO
Molecular Weight410.34 g/mol
Exact Mass409.10
IUPAC Name4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide
SMILESCC(=CCc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C24H21Cl2NO/c1-16(7-8-18-9-14-21(25)22(26)15-18)19-10-12-20(13-11-19)24(28)27-23-6-4-3-5-17(23)2/h3-7,9-15H,8H2,1-2H3,(H,27,28)
InChIKeyGFWKKQTWNFZHAN-UHFFFAOYSA-N
XLogP7.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.34
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide
CID 59121264
4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide
CID 59121252
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
4-(acetamidomethyl)-N-(2-methylphenyl)benzamide
CID 18104261
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide
CID 70141116
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
4-[3-(3,4-dichlorophenyl)but-2-enyl]-N-(3-methylbutan-2-yl)benzamide
CID 54349510
N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline
CID 59121257
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide (CID 72522754) is 4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide is CC(=CCc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide?
The InChIKey is GFWKKQTWNFZHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO/c1-16(7-8-18-9-14-21(25)22(26)15-18)19-10-12-20(13-11-19)24(28)27-23-6-4-3-5-17(23)2/h3-7,9-15H,8H2,1-2H3,(H,27,28).
What are the key properties of 4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide?
4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide has a molecular weight of 410.34 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 72522754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).