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

C24H15Cl4F2NO2 — CID 146989028

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

2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 146989028) has the molecular formula C24H15Cl4F2NO2 and a molecular weight of 529.20 g/mol. Its IUPAC name is 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide
• PubChem CID: 146989028
• Molecular Formula: C24H15Cl4F2NO2
• Molecular Weight: 529.20 g/mol
• Exact Mass: 526.98
• IUPAC Name: 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide
• SMILES: O=C(Cc1ccc(F)cc1F)c1cccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c1
• InChI: InChI=1S/C24H15Cl4F2NO2/c25-15-6-14(7-16(26)10-15)21-22(24(21,27)28)23(33)31-18-3-1-2-13(8-18)20(32)9-12-4-5-17(29)11-19(12)30/h1-8,10-11,21-22H,9H2,(H,31,33)
• InChIKey: APVFRCDRTZMTNA-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.20
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	1
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 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide?

The IUPAC name of 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide (CID 146989028) is 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide.

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

The canonical SMILES for 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide is O=C(Cc1ccc(F)cc1F)c1cccc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)c1.

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

The InChIKey is APVFRCDRTZMTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl4F2NO2/c25-15-6-14(7-16(26)10-15)21-22(24(21,27)28)23(33)31-18-3-1-2-13(8-18)20(32)9-12-4-5-17(29)11-19(12)30/h1-8,10-11,21-22H,9H2,(H,31,33).

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

2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 529.20 g/mol, XLogP of 7.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146989028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).