4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide

C25H22Cl2FNO — CID 70141116

IUPAC4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(C(C)CC(F)=Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C25H22Cl2FNO/c1-16-5-3-4-6-24(16)29-25(30)20-10-8-19(9-11-20)17(2)13-21(28)14-18-7-12-22(26)23(27)15-18/h3-12,14-15,17H,13H2,1-2H3,(H,29,30)
InChIKeyRBHBIDHSTOJKOA-UHFFFAOYSA-N
MW442.36 g/mol
LogP8.06
Rot. Bonds6

About 4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide

4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide (PubChem CID 70141116) has the molecular formula C25H22Cl2FNO and a molecular weight of 442.36 g/mol. Its IUPAC name is 4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide
PubChem CID70141116
Molecular FormulaC25H22Cl2FNO
Molecular Weight442.36 g/mol
Exact Mass441.11
IUPAC Name4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(C(C)CC(F)=Cc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C25H22Cl2FNO/c1-16-5-3-4-6-24(16)29-25(30)20-10-8-19(9-11-20)17(2)13-21(28)14-18-7-12-22(26)23(27)15-18/h3-12,14-15,17H,13H2,1-2H3,(H,29,30)
InChIKeyRBHBIDHSTOJKOA-UHFFFAOYSA-N
XLogP8.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.36
LogP ≤ 58.06
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-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide
CID 72522754
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide
CID 59121252
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926819
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
CID 55919521
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
5-N-(2-methylphenyl)-3-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107855
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide (CID 70141116) is 4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(C(C)CC(F)=Cc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide?
The InChIKey is RBHBIDHSTOJKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2FNO/c1-16-5-3-4-6-24(16)29-25(30)20-10-8-19(9-11-20)17(2)13-21(28)14-18-7-12-22(26)23(27)15-18/h3-12,14-15,17H,13H2,1-2H3,(H,29,30).
What are the key properties of 4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide?
4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide has a molecular weight of 442.36 g/mol, XLogP of 8.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dichlorophenyl)-4-fluoropent-4-en-2-yl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 70141116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).