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

C23H13Cl5F2N2O2 — CID 138653329

IUPAC2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(NC(=O)C2[C@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H13Cl5F2N2O2/c24-14-5-3-12(9-13(14)21(33)32-18-6-2-11(29)8-17(18)30)31-22(34)20-19(23(20,27)28)10-1-4-15(25)16(26)7-10/h1-9,19-20H,(H,31,34)(H,32,33)/t19-,20?/m0/s1
InChIKeyFXXWMXPDSHRXMO-XJDOXCRVSA-N
MW564.63 g/mol
LogP7.70
Rot. Bonds5

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

2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide (PubChem CID 138653329) has the molecular formula C23H13Cl5F2N2O2 and a molecular weight of 564.63 g/mol. Its IUPAC name is 2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
PubChem CID138653329
Molecular FormulaC23H13Cl5F2N2O2
Molecular Weight564.63 g/mol
Exact Mass561.94
IUPAC Name2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(NC(=O)C2[C@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C23H13Cl5F2N2O2/c24-14-5-3-12(9-13(14)21(33)32-18-6-2-11(29)8-17(18)30)31-22(34)20-19(23(20,27)28)10-1-4-15(25)16(26)7-10/h1-9,19-20H,(H,31,34)(H,32,33)/t19-,20?/m0/s1
InChIKeyFXXWMXPDSHRXMO-XJDOXCRVSA-N
XLogP7.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.63
LogP ≤ 57.70
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-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 122618472
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122617858
N-(4-acetamido-2-fluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618387
2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122618490
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-[[(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-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122618392
N-(5-amino-2,4-difluorophenyl)-2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 138653293
2-chloro-5-[[2,2-dichloro-3-(4-ethenyl-3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide
CID 122618120
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(3-fluorophenyl)benzamide
CID 122618432
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618900
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 138652504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide (CID 138653329) is 2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide is O=C(Nc1ccc(F)cc1F)c1cc(NC(=O)C2[C@H](c3ccc(Cl)c(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
The InChIKey is FXXWMXPDSHRXMO-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H13Cl5F2N2O2/c24-14-5-3-12(9-13(14)21(33)32-18-6-2-11(29)8-17(18)30)31-22(34)20-19(23(20,27)28)10-1-4-15(25)16(26)7-10/h1-9,19-20H,(H,31,34)(H,32,33)/t19-,20?/m0/s1.
What are the key properties of 2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide?
2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide has a molecular weight of 564.63 g/mol, XLogP of 7.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 138653329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).