5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide

C24H17Cl4FN2O3S — CID 122617918

IUPAC5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H17Cl4FN2O3S/c1-35(34)19-7-6-17(11-18(19)22(32)30-16-4-2-15(29)3-5-16)31-23(33)21-20(24(21,27)28)12-8-13(25)10-14(26)9-12/h2-11,20-21H,1H3,(H,30,32)(H,31,33)
InChIKeyGLUUMNOWCQBYAP-UHFFFAOYSA-N
MW574.29 g/mol
LogP6.65
Rot. Bonds6

About 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide

5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide (PubChem CID 122617918) has the molecular formula C24H17Cl4FN2O3S and a molecular weight of 574.29 g/mol. Its IUPAC name is 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide.

Molecular Properties

Compound Name5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide
PubChem CID122617918
Molecular FormulaC24H17Cl4FN2O3S
Molecular Weight574.29 g/mol
Exact Mass571.97
IUPAC Name5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H17Cl4FN2O3S/c1-35(34)19-7-6-17(11-18(19)22(32)30-16-4-2-15(29)3-5-16)31-23(33)21-20(24(21,27)28)12-8-13(25)10-14(26)9-12/h2-11,20-21H,1H3,(H,30,32)(H,31,33)
InChIKeyGLUUMNOWCQBYAP-UHFFFAOYSA-N
XLogP6.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.29
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide
CID 122618951
5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfonylbenzamide
CID 122619201
5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfonylbenzamide
CID 122619204
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-methylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617547
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichloro-4-methylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617550
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617589
2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122619150
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618333
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichloro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122619130
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,5-difluorophenyl)benzamide
CID 175355875

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide?
The IUPAC name of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide (CID 122617918) is 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide.
What is the SMILES notation for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide?
The canonical SMILES for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide is CS(=O)c1ccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide?
The InChIKey is GLUUMNOWCQBYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl4FN2O3S/c1-35(34)19-7-6-17(11-18(19)22(32)30-16-4-2-15(29)3-5-16)31-23(33)21-20(24(21,27)28)12-8-13(25)10-14(26)9-12/h2-11,20-21H,1H3,(H,30,32)(H,31,33).
What are the key properties of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide?
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide has a molecular weight of 574.29 g/mol, XLogP of 6.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide is sourced from PubChem (CID 122617918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).