N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide

C25H13Cl5F6N2O2 — CID 167225124

About N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 167225124) has the molecular formula C25H13Cl5F6N2O2 and a molecular weight of 664.64 g/mol. Its IUPAC name is N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
• PubChem CID: 167225124
• Molecular Formula: C25H13Cl5F6N2O2
• Molecular Weight: 664.64 g/mol
• Exact Mass: 661.93
• IUPAC Name: N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
• SMILES: O=C(Nc1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C25H13Cl5F6N2O2/c26-14-5-10(6-15(27)8-14)19-20(23(19,29)30)22(40)37-16-1-2-17(28)18(9-16)38-21(39)11-3-12(24(31,32)33)7-13(4-11)25(34,35)36/h1-9,19-20H,(H,37,40)(H,38,39)
• InChIKey: AWLONOJVIVYWCR-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.64
LogP ≤ 5	9.46
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 N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide?

The IUPAC name of N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide (CID 167225124) is N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide?

The InChIKey is AWLONOJVIVYWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13Cl5F6N2O2/c26-14-5-10(6-15(27)8-14)19-20(23(19,29)30)22(40)37-16-1-2-17(28)18(9-16)38-21(39)11-3-12(24(31,32)33)7-13(4-11)25(34,35)36/h1-9,19-20H,(H,37,40)(H,38,39).

What are the key properties of N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide?

N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 664.64 g/mol, XLogP of 9.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 167225124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).