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

C24H17Cl4FN2O2 — CID 122618951

IUPAC5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H17Cl4FN2O2/c1-12-2-5-18(11-19(12)22(32)30-17-6-3-16(29)4-7-17)31-23(33)21-20(24(21,27)28)13-8-14(25)10-15(26)9-13/h2-11,20-21H,1H3,(H,30,32)(H,31,33)
InChIKeyFGRAXEYEQOISPI-UHFFFAOYSA-N
MW526.22 g/mol
LogP7.22
Rot. Bonds5

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

5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide (PubChem CID 122618951) has the molecular formula C24H17Cl4FN2O2 and a molecular weight of 526.22 g/mol. Its IUPAC name is 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide
PubChem CID122618951
Molecular FormulaC24H17Cl4FN2O2
Molecular Weight526.22 g/mol
Exact Mass524.00
IUPAC Name5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide
SMILESCc1ccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H17Cl4FN2O2/c1-12-2-5-18(11-19(12)22(32)30-17-6-3-16(29)4-7-17)31-23(33)21-20(24(21,27)28)13-8-14(25)10-15(26)9-13/h2-11,20-21H,1H3,(H,30,32)(H,31,33)
InChIKeyFGRAXEYEQOISPI-UHFFFAOYSA-N
XLogP7.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.22
LogP ≤ 57.22
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

5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide
CID 122617918
5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfonylbenzamide
CID 122619204
5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfonylbenzamide
CID 122619201
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
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 162614076
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
2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-4-fluoro-2-methylbenzamide
CID 165144570
2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122619150
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618333

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide?
The IUPAC name of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide (CID 122618951) is 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide is Cc1ccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide?
The InChIKey is FGRAXEYEQOISPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl4FN2O2/c1-12-2-5-18(11-19(12)22(32)30-17-6-3-16(29)4-7-17)31-23(33)21-20(24(21,27)28)13-8-14(25)10-15(26)9-13/h2-11,20-21H,1H3,(H,30,32)(H,31,33).
What are the key properties of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide?
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide has a molecular weight of 526.22 g/mol, XLogP of 7.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 122618951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).