2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide

C25H15Cl5F2N2O2 — CID 140860390

About 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide (PubChem CID 140860390) has the molecular formula C25H15Cl5F2N2O2 and a molecular weight of 590.67 g/mol. Its IUPAC name is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide
• PubChem CID: 140860390
• Molecular Formula: C25H15Cl5F2N2O2
• Molecular Weight: 590.67 g/mol
• Exact Mass: 587.95
• IUPAC Name: 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide
• SMILES: C=C(F)c1ccc(NC(=O)c2cc(NC(=O)[C@H]3[C@H](c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(F)c1
• InChI: InChI=1S/C25H15Cl5F2N2O2/c1-11(31)12-2-5-20(19(32)8-12)34-23(35)17-10-16(3-4-18(17)28)33-24(36)22-21(25(22,29)30)13-6-14(26)9-15(27)7-13/h2-10,21-22H,1H2,(H,33,36)(H,34,35)/t21-,22+/m0/s1
• InChIKey: XBCVTZMNDRYFER-FCHUYYIVSA-N
• XLogP: 8.50
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.67
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide?

The IUPAC name of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide (CID 140860390) is 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide.

What is the SMILES notation for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide?

The canonical SMILES for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide is C=C(F)c1ccc(NC(=O)c2cc(NC(=O)[C@H]3[C@H](c4cc(Cl)cc(Cl)c4)C3(Cl)Cl)ccc2Cl)c(F)c1.

What is the InChIKey of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide?

The InChIKey is XBCVTZMNDRYFER-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H15Cl5F2N2O2/c1-11(31)12-2-5-20(19(32)8-12)34-23(35)17-10-16(3-4-18(17)28)33-24(36)22-21(25(22,29)30)13-6-14(26)9-15(27)7-13/h2-10,21-22H,1H2,(H,33,36)(H,34,35)/t21-,22+/m0/s1.

What are the key properties of 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide?

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide has a molecular weight of 590.67 g/mol, XLogP of 8.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-fluoro-4-(1-fluoroethenyl)phenyl]benzamide is sourced from PubChem (CID 140860390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).