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

C24H14BrCl4F2NO2 — CID 152789837

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

3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 152789837) has the molecular formula C24H14BrCl4F2NO2 and a molecular weight of 608.09 g/mol. Its IUPAC name is 3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide
• PubChem CID: 152789837
• Molecular Formula: C24H14BrCl4F2NO2
• Molecular Weight: 608.09 g/mol
• Exact Mass: 604.89
• IUPAC Name: 3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide
• SMILES: O=C(Cc1ccc(F)cc1F)c1cc(NC(=O)C2C(c3cc(Cl)cc(Br)c3)C2(Cl)Cl)ccc1Cl
• InChI: InChI=1S/C24H14BrCl4F2NO2/c25-13-5-12(6-14(26)8-13)21-22(24(21,28)29)23(34)32-16-3-4-18(27)17(10-16)20(33)7-11-1-2-15(30)9-19(11)31/h1-6,8-10,21-22H,7H2,(H,32,34)
• InChIKey: SFVGXOPLZCEPLQ-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 46.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.09
LogP ≤ 5	7.99
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 3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide?

The IUPAC name of 3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide (CID 152789837) is 3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide.

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

The canonical SMILES for 3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide is O=C(Cc1ccc(F)cc1F)c1cc(NC(=O)C2C(c3cc(Cl)cc(Br)c3)C2(Cl)Cl)ccc1Cl.

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

The InChIKey is SFVGXOPLZCEPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrCl4F2NO2/c25-13-5-12(6-14(26)8-13)21-22(24(21,28)29)23(34)32-16-3-4-18(27)17(10-16)20(33)7-11-1-2-15(30)9-19(11)31/h1-6,8-10,21-22H,7H2,(H,32,34).

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

3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 608.09 g/mol, XLogP of 7.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-bromo-5-chlorophenyl)-2,2-dichloro-N-[4-chloro-3-[2-(2,4-difluorophenyl)acetyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 152789837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).