2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide

C24H16Cl3F3N2O3 — CID 122630341

IUPAC2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
SMILESCOc1c(F)cc(C2C(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccc(F)cc4)c3)C2(Cl)Cl)cc1F
InChIInChI=1S/C24H16Cl3F3N2O3/c1-35-21-17(29)8-11(9-18(21)30)19-20(24(19,26)27)23(34)32-14-6-7-16(25)15(10-14)22(33)31-13-4-2-12(28)3-5-13/h2-10,19-20H,1H3,(H,31,33)(H,32,34)
InChIKeyHLBGEZJRVSYOFK-UHFFFAOYSA-N
MW543.76 g/mol
LogP6.54
Rot. Bonds6

About 2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide

2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide (PubChem CID 122630341) has the molecular formula C24H16Cl3F3N2O3 and a molecular weight of 543.76 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
PubChem CID122630341
Molecular FormulaC24H16Cl3F3N2O3
Molecular Weight543.76 g/mol
Exact Mass542.02
IUPAC Name2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
SMILESCOc1c(F)cc(C2C(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccc(F)cc4)c3)C2(Cl)Cl)cc1F
InChIInChI=1S/C24H16Cl3F3N2O3/c1-35-21-17(29)8-11(9-18(21)30)19-20(24(19,26)27)23(34)32-14-6-7-16(25)15(10-14)22(33)31-13-4-2-12(28)3-5-13/h2-10,19-20H,1H3,(H,31,33)(H,32,34)
InChIKeyHLBGEZJRVSYOFK-UHFFFAOYSA-N
XLogP6.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.76
LogP ≤ 56.54
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-dichloro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122619130
5-[[(1R,3R)-3-(3-bromo-5-fluoro-4-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(4-fluorophenyl)benzamide
CID 122617405
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618686
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-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
2-chloro-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 146269472
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618333
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluoro-3-methoxyphenyl)benzamide
CID 134418822
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617589
5-[[(1R,3R)-3-(4-bromo-3-fluoro-5-methoxyphenyl)-2,2-dichlorocyclopropanecarbonyl]amino]-2-chloro-N-(2,4-difluorophenyl)benzamide
CID 122618572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide (CID 122630341) is 2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide is COc1c(F)cc(C2C(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccc(F)cc4)c3)C2(Cl)Cl)cc1F.
What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
The InChIKey is HLBGEZJRVSYOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3F3N2O3/c1-35-21-17(29)8-11(9-18(21)30)19-20(24(19,26)27)23(34)32-14-6-7-16(25)15(10-14)22(33)31-13-4-2-12(28)3-5-13/h2-10,19-20H,1H3,(H,31,33)(H,32,34).
What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
2-chloro-5-[[2,2-dichloro-3-(3,5-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide has a molecular weight of 543.76 g/mol, XLogP of 6.54, 6 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-difluoro-4-methoxyphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 122630341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).