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

C23H15Cl4FN2O2 — CID 138653272

IUPAC2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NC(=O)C2C(Cl)C2c2cc(Cl)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C23H15Cl4FN2O2/c24-12-7-11(8-13(25)9-12)19-20(21(19)27)23(32)30-16-5-6-18(26)17(10-16)22(31)29-15-3-1-14(28)2-4-15/h1-10,19-21H,(H,29,31)(H,30,32)
InChIKeyLCOWXMAMGHMVPF-UHFFFAOYSA-N
MW512.20 g/mol
LogP7.00
Rot. Bonds5

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

2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide (PubChem CID 138653272) has the molecular formula C23H15Cl4FN2O2 and a molecular weight of 512.20 g/mol. Its IUPAC name is 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
PubChem CID138653272
Molecular FormulaC23H15Cl4FN2O2
Molecular Weight512.20 g/mol
Exact Mass509.99
IUPAC Name2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NC(=O)C2C(Cl)C2c2cc(Cl)cc(Cl)c2)ccc1Cl
InChIInChI=1S/C23H15Cl4FN2O2/c24-12-7-11(8-13(25)9-12)19-20(21(19)27)23(32)30-16-5-6-18(26)17(10-16)22(31)29-15-3-1-14(28)2-4-15/h1-10,19-21H,(H,29,31)(H,30,32)
InChIKeyLCOWXMAMGHMVPF-UHFFFAOYSA-N
XLogP7.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.20
LogP ≤ 57.00
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-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122619150
2-chloro-5-[(2,2-dichloro-3-phenylcyclopropanecarbonyl)amino]-N-(4-fluorophenyl)benzamide
CID 122630258
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617589
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide
CID 122618951
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-chloro-3-fluorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618686
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122618333
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,5-difluorophenyl)benzamide
CID 175355875
N-(2-amino-5-fluorophenyl)-2-chloro-5-[[(1R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 131991526
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-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617526

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide (CID 138653272) is 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1cc(NC(=O)C2C(Cl)C2c2cc(Cl)cc(Cl)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
The InChIKey is LCOWXMAMGHMVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl4FN2O2/c24-12-7-11(8-13(25)9-12)19-20(21(19)27)23(32)30-16-5-6-18(26)17(10-16)22(31)29-15-3-1-14(28)2-4-15/h1-10,19-21H,(H,29,31)(H,30,32).
What are the key properties of 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide has a molecular weight of 512.20 g/mol, XLogP of 7.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 138653272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).