5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide

C24H15Cl4F3N2O2 — CID 122618398

IUPAC5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(NC(=O)C2C(c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1F)c1ccc(F)cc1F
InChIInChI=1S/C24H15Cl4F3N2O2/c1-33(19-7-3-12(29)9-18(19)31)23(35)14-10-13(4-6-17(14)30)32-22(34)21-20(24(21,27)28)11-2-5-15(25)16(26)8-11/h2-10,20-21H,1H3,(H,32,34)
InChIKeySXJJLMKNMAMLCZ-UHFFFAOYSA-N
MW562.20 g/mol
LogP7.21
Rot. Bonds5

About 5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide

5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide (PubChem CID 122618398) has the molecular formula C24H15Cl4F3N2O2 and a molecular weight of 562.20 g/mol. Its IUPAC name is 5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
PubChem CID122618398
Molecular FormulaC24H15Cl4F3N2O2
Molecular Weight562.20 g/mol
Exact Mass559.98
IUPAC Name5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(NC(=O)C2C(c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1F)c1ccc(F)cc1F
InChIInChI=1S/C24H15Cl4F3N2O2/c1-33(19-7-3-12(29)9-18(19)31)23(35)14-10-13(4-6-17(14)30)32-22(34)21-20(24(21,27)28)11-2-5-15(25)16(26)8-11/h2-10,20-21H,1H3,(H,32,34)
InChIKeySXJJLMKNMAMLCZ-UHFFFAOYSA-N
XLogP7.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.20
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 122617448
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-N-methylbenzamide
CID 122619008
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 134413150
5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618472
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-2-methylphenyl)-N-methylbenzamide
CID 122618656
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122617816
2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 138653329
2-chloro-N-(2-cyano-4-fluorophenyl)-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 122618567
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-N-methylbenzamide
CID 140859678
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3-chloro-4-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-N-methylbenzamide
CID 122617647
trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]-3-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 147715435
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide
CID 122618432

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide (CID 122618398) is 5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide is CN(C(=O)c1cc(NC(=O)C2C(c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1F)c1ccc(F)cc1F.
What is the InChIKey of 5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide?
The InChIKey is SXJJLMKNMAMLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl4F3N2O2/c1-33(19-7-3-12(29)9-18(19)31)23(35)14-10-13(4-6-17(14)30)32-22(34)21-20(24(21,27)28)11-2-5-15(25)16(26)8-11/h2-10,20-21H,1H3,(H,32,34).
What are the key properties of 5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide?
5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide has a molecular weight of 562.20 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 122618398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).