2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide

C20H17Cl5N2O3S — CID 122622141

IUPAC2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide
SMILESCS(=O)CCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C20H17Cl5N2O3S/c1-31(30)5-4-26-18(28)14-9-13(2-3-15(14)23)27-19(29)17-16(20(17,24)25)10-6-11(21)8-12(22)7-10/h2-3,6-9,16-17H,4-5H2,1H3,(H,26,28)(H,27,29)
InChIKeyUHHOIYCQBJJJNO-UHFFFAOYSA-N
MW542.70 g/mol
LogP5.28
Rot. Bonds7

About 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide

2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide (PubChem CID 122622141) has the molecular formula C20H17Cl5N2O3S and a molecular weight of 542.70 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide
PubChem CID122622141
Molecular FormulaC20H17Cl5N2O3S
Molecular Weight542.70 g/mol
Exact Mass539.94
IUPAC Name2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide
SMILESCS(=O)CCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C20H17Cl5N2O3S/c1-31(30)5-4-26-18(28)14-9-13(2-3-15(14)23)27-19(29)17-16(20(17,24)25)10-6-11(21)8-12(22)7-10/h2-3,6-9,16-17H,4-5H2,1H3,(H,26,28)(H,27,29)
InChIKeyUHHOIYCQBJJJNO-UHFFFAOYSA-N
XLogP5.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.70
LogP ≤ 55.28
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

2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-pentylbenzamide
CID 122622266
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-hexylbenzamide
CID 122621563
N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134418636
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylpropyl)benzamide
CID 122621475
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 122622248
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2-chloro-N-(4-chloro-3-hydroxyphenyl)-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 146269473
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(dimethylamino)phenyl]benzamide
CID 122617818
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 122621463
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide
CID 134418577
2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 157067729
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(1-methylcyclopropyl)benzamide
CID 122615254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide?
The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide (CID 122622141) is 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide?
The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide is CS(=O)CCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide?
The InChIKey is UHHOIYCQBJJJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl5N2O3S/c1-31(30)5-4-26-18(28)14-9-13(2-3-15(14)23)27-19(29)17-16(20(17,24)25)10-6-11(21)8-12(22)7-10/h2-3,6-9,16-17H,4-5H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide?
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide has a molecular weight of 542.70 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide is sourced from PubChem (CID 122622141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).