2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide

C26H19Cl4FN2O2 — CID 146269615

IUPAC2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide
SMILESC=Cc1cc(C2C(Cl)(Cl)C2(C=O)CNc2ccc(Cl)c(C(=O)Nc3ccc(F)cc3)c2)ccc1Cl
InChIInChI=1S/C26H19Cl4FN2O2/c1-2-15-11-16(3-9-21(15)27)23-25(14-34,26(23,29)30)13-32-19-8-10-22(28)20(12-19)24(35)33-18-6-4-17(31)5-7-18/h2-12,14,23,32H,1,13H2,(H,33,35)
InChIKeyFXWGDOWBTHVVQT-UHFFFAOYSA-N
MW552.26 g/mol
LogP7.60
Rot. Bonds8

About 2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide

2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide (PubChem CID 146269615) has the molecular formula C26H19Cl4FN2O2 and a molecular weight of 552.26 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide
PubChem CID146269615
Molecular FormulaC26H19Cl4FN2O2
Molecular Weight552.26 g/mol
Exact Mass550.02
IUPAC Name2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide
SMILESC=Cc1cc(C2C(Cl)(Cl)C2(C=O)CNc2ccc(Cl)c(C(=O)Nc3ccc(F)cc3)c2)ccc1Cl
InChIInChI=1S/C26H19Cl4FN2O2/c1-2-15-11-16(3-9-21(15)27)23-25(14-34,26(23,29)30)13-32-19-8-10-22(28)20(12-19)24(35)33-18-6-4-17(31)5-7-18/h2-12,14,23,32H,1,13H2,(H,33,35)
InChIKeyFXWGDOWBTHVVQT-UHFFFAOYSA-N
XLogP7.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.26
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)-2-iodobenzamide
CID 146269629
3-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide
CID 154957676
2-chloro-N-(1-cyanocyclopropyl)-5-[[2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)-1-formylcyclopropyl]methylamino]benzamide
CID 138653853
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-[3,5-difluoro-4-(1-fluoroethenyl)-2-pyridinyl]benzamide
CID 138652454
5-[1-carbamoyl-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropyl]-2-chloro-N-(3-ethenyl-4-fluorophenyl)benzamide
CID 175576763
2-chloro-5-[[2,2-dibromo-3-(3,5-dichlorophenyl)-1-formylcyclopropyl]methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 138650541
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-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
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-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 138653272
2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122619150
2-chloro-5-[[2,2-dichloro-3-(3,5-dichloro-4-methylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide (CID 146269615) is 2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide is C=Cc1cc(C2C(Cl)(Cl)C2(C=O)CNc2ccc(Cl)c(C(=O)Nc3ccc(F)cc3)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide?
The InChIKey is FXWGDOWBTHVVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl4FN2O2/c1-2-15-11-16(3-9-21(15)27)23-25(14-34,26(23,29)30)13-32-19-8-10-22(28)20(12-19)24(35)33-18-6-4-17(31)5-7-18/h2-12,14,23,32H,1,13H2,(H,33,35).
What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide?
2-chloro-5-[[2,2-dichloro-3-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide has a molecular weight of 552.26 g/mol, XLogP of 7.60, 8 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-(4-chloro-3-ethenylphenyl)-1-formylcyclopropyl]methylamino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 146269615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).