2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C25H15Cl6F3N2O2 — CID 153124600

About 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 153124600) has the molecular formula C25H15Cl6F3N2O2 and a molecular weight of 645.12 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
• PubChem CID: 153124600
• Molecular Formula: C25H15Cl6F3N2O2
• Molecular Weight: 645.12 g/mol
• Exact Mass: 641.92
• IUPAC Name: 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
• SMILES: O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C25H15Cl6F3N2O2/c26-12-5-11(6-13(27)7-12)21-22(24(21,30)31)23(38)36-15-2-3-18(28)16(8-15)20(37)10-35-14-1-4-19(29)17(9-14)25(32,33)34/h1-9,21-22,35H,10H2,(H,36,38)
• InChIKey: VVNVPNDWAUTPFW-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.12
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?

The IUPAC name of 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 153124600) is 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

What is the SMILES notation for 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?

The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.

What is the InChIKey of 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?

The InChIKey is VVNVPNDWAUTPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl6F3N2O2/c26-12-5-11(6-13(27)7-12)21-22(24(21,30)31)23(38)36-15-2-3-18(28)16(8-15)20(37)10-35-14-1-4-19(29)17(9-14)25(32,33)34/h1-9,21-22,35H,10H2,(H,36,38).

What are the key properties of 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?

2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 645.12 g/mol, XLogP of 9.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 153124600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).