2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide

C25H16Cl4F2N2O2 — CID 122619470

IUPAC2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
SMILESC=Cc1cc(Cl)cc(C2C(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccc(F)cc4F)c3)C2(Cl)Cl)c1
InChIInChI=1S/C25H16Cl4F2N2O2/c1-2-12-7-13(9-14(26)8-12)21-22(25(21,28)29)24(35)32-16-4-5-18(27)17(11-16)23(34)33-20-6-3-15(30)10-19(20)31/h2-11,21-22H,1H2,(H,32,35)(H,33,34)
InChIKeyPUHGZXPUKSXMDO-UHFFFAOYSA-N
MW556.22 g/mol
LogP7.69
Rot. Bonds6

About 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide

2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide (PubChem CID 122619470) has the molecular formula C25H16Cl4F2N2O2 and a molecular weight of 556.22 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
PubChem CID122619470
Molecular FormulaC25H16Cl4F2N2O2
Molecular Weight556.22 g/mol
Exact Mass553.99
IUPAC Name2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
SMILESC=Cc1cc(Cl)cc(C2C(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccc(F)cc4F)c3)C2(Cl)Cl)c1
InChIInChI=1S/C25H16Cl4F2N2O2/c1-2-12-7-13(9-14(26)8-12)21-22(25(21,28)29)24(35)32-16-4-5-18(27)17(11-16)23(34)33-20-6-3-15(30)10-19(20)31/h2-11,21-22H,1H2,(H,32,35)(H,33,34)
InChIKeyPUHGZXPUKSXMDO-UHFFFAOYSA-N
XLogP7.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.22
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617526
2-chloro-5-[[2,2-dichloro-3-(4-ethenyl-3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122618120
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618971
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617858
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoro-4-formylphenyl)benzamide
CID 122630121
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,5-difluorophenyl)benzamide
CID 175355875
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichloro-5-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 140860195
2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 138653329
5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618472
N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 131991526
2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 140859885
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide
CID 140860390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide (CID 122619470) is 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide is C=Cc1cc(Cl)cc(C2C(C(=O)Nc3ccc(Cl)c(C(=O)Nc4ccc(F)cc4F)c3)C2(Cl)Cl)c1.
What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
The InChIKey is PUHGZXPUKSXMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl4F2N2O2/c1-2-12-7-13(9-14(26)8-12)21-22(25(21,28)29)24(35)32-16-4-5-18(27)17(11-16)23(34)33-20-6-3-15(30)10-19(20)31/h2-11,21-22H,1H2,(H,32,35)(H,33,34).
What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide has a molecular weight of 556.22 g/mol, XLogP of 7.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2,2-dichloro-3-(3-chloro-5-ethenylphenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 122619470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).