2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide

C24H18Cl3F2NO — CID 138653422

About 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide

2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 138653422) has the molecular formula C24H18Cl3F2NO and a molecular weight of 480.77 g/mol. Its IUPAC name is 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 138653422
• Molecular Formula: C24H18Cl3F2NO
• Molecular Weight: 480.77 g/mol
• Exact Mass: 479.04
• IUPAC Name: 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide
• SMILES: Cc1ccc(-c2cc(NC(=O)C3C(c4ccc(C)c(Cl)c4)C3(Cl)Cl)ccc2F)c(F)c1
• InChI: InChI=1S/C24H18Cl3F2NO/c1-12-3-7-16(20(29)9-12)17-11-15(6-8-19(17)28)30-23(31)22-21(24(22,26)27)14-5-4-13(2)18(25)10-14/h3-11,21-22H,1-2H3,(H,30,31)
• InChIKey: PXZLDQILUZNOCZ-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.77
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

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-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide (CID 138653422) is 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide is Cc1ccc(-c2cc(NC(=O)C3C(c4ccc(C)c(Cl)c4)C3(Cl)Cl)ccc2F)c(F)c1.

What is the InChIKey of 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is PXZLDQILUZNOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3F2NO/c1-12-3-7-16(20(29)9-12)17-11-15(6-8-19(17)28)30-23(31)22-21(24(22,26)27)14-5-4-13(2)18(25)10-14/h3-11,21-22H,1-2H3,(H,30,31).

What are the key properties of 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide?

2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 480.77 g/mol, XLogP of 7.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-3-(3-chloro-4-methylphenyl)-N-[4-fluoro-3-(2-fluoro-4-methylphenyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138653422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).