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

C23H14Cl4F2N2O2 — CID 122619150

IUPAC2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(F)Cl)ccc1Cl
InChIInChI=1S/C23H14Cl4F2N2O2/c24-12-7-11(8-13(25)9-12)19-20(23(19,27)29)22(33)31-16-5-6-18(26)17(10-16)21(32)30-15-3-1-14(28)2-4-15/h1-10,19-20H,(H,30,32)(H,31,33)
InChIKeyMZRYRVQQPKDBFI-UHFFFAOYSA-N
MW530.19 g/mol
LogP7.29
Rot. Bonds5

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

2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide (PubChem CID 122619150) has the molecular formula C23H14Cl4F2N2O2 and a molecular weight of 530.19 g/mol. Its IUPAC name is 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
PubChem CID122619150
Molecular FormulaC23H14Cl4F2N2O2
Molecular Weight530.19 g/mol
Exact Mass527.98
IUPAC Name2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(F)Cl)ccc1Cl
InChIInChI=1S/C23H14Cl4F2N2O2/c24-12-7-11(8-13(25)9-12)19-20(23(19,27)29)22(33)31-16-5-6-18(26)17(10-16)21(32)30-15-3-1-14(28)2-4-15/h1-10,19-20H,(H,30,32)(H,31,33)
InChIKeyMZRYRVQQPKDBFI-UHFFFAOYSA-N
XLogP7.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.19
LogP ≤ 57.29
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-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
2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 138653272
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-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,5-difluorophenyl)benzamide
CID 175355875
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
2-chloro-5-[[(1R,3R)-3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 140859885
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4,6-trifluorophenyl)benzamide
CID 122617537
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 122618630

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide (CID 122619150) is 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(F)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
The InChIKey is MZRYRVQQPKDBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl4F2N2O2/c24-12-7-11(8-13(25)9-12)19-20(23(19,27)29)22(33)31-16-5-6-18(26)17(10-16)21(32)30-15-3-1-14(28)2-4-15/h1-10,19-20H,(H,30,32)(H,31,33).
What are the key properties of 2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide?
2-chloro-5-[[2-chloro-3-(3,5-dichlorophenyl)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide has a molecular weight of 530.19 g/mol, XLogP of 7.29, 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)-2-fluorocyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 122619150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).