2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C18H10Cl6F2N2O2 — CID 167224990

About 2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 167224990) has the molecular formula C18H10Cl6F2N2O2 and a molecular weight of 537.00 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
• PubChem CID: 167224990
• Molecular Formula: C18H10Cl6F2N2O2
• Molecular Weight: 537.00 g/mol
• Exact Mass: 533.88
• IUPAC Name: 2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
• SMILES: O=C(Nc1ccc(Cl)c(NC(=O)C(F)(F)Cl)c1)C1C(c2cc(Cl)cc(Cl)c2)C1(Cl)Cl
• InChI: InChI=1S/C18H10Cl6F2N2O2/c19-8-3-7(4-9(20)5-8)13-14(17(13,22)23)15(29)27-10-1-2-11(21)12(6-10)28-16(30)18(24,25)26/h1-6,13-14H,(H,27,29)(H,28,30)
• InChIKey: JUCNOXLIFVJRHP-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.00
LogP ≤ 5	6.94
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 2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?

The IUPAC name of 2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 167224990) is 2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

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

The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(Cl)c(NC(=O)C(F)(F)Cl)c1)C1C(c2cc(Cl)cc(Cl)c2)C1(Cl)Cl.

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

The InChIKey is JUCNOXLIFVJRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl6F2N2O2/c19-8-3-7(4-9(20)5-8)13-14(17(13,22)23)15(29)27-10-1-2-11(21)12(6-10)28-16(30)18(24,25)26/h1-6,13-14H,(H,27,29)(H,28,30).

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

2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 537.00 g/mol, XLogP of 6.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-N-[4-chloro-3-[(2-chloro-2,2-difluoroacetyl)amino]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167224990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).