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

C23H15Cl4FN2O2 — CID 147531999

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

2,2-dichloro-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 147531999) has the molecular formula C23H15Cl4FN2O2 and a molecular weight of 512.20 g/mol. Its IUPAC name is 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 147531999
• Molecular Formula: C23H15Cl4FN2O2
• Molecular Weight: 512.20 g/mol
• Exact Mass: 509.99
• IUPAC Name: 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide
• SMILES: O=C(Cc1ccc(F)cc1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccn1
• InChI: InChI=1S/C23H15Cl4FN2O2/c24-14-8-13(9-15(25)10-14)20-21(23(20,26)27)22(32)30-17-5-6-29-18(11-17)19(31)7-12-1-3-16(28)4-2-12/h1-6,8-11,20-21H,7H2,(H,29,30,32)
• InChIKey: FNFJGLVESYBZBB-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.20
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	1
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-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide (CID 147531999) is 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide.

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

The canonical SMILES for 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide is O=C(Cc1ccc(F)cc1)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccn1.

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

The InChIKey is FNFJGLVESYBZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl4FN2O2/c24-14-8-13(9-15(25)10-14)20-21(23(20,26)27)22(32)30-17-5-6-29-18(11-17)19(31)7-12-1-3-16(28)4-2-12/h1-6,8-11,20-21H,7H2,(H,29,30,32).

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

2,2-dichloro-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 512.20 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dichloro-3-(3,5-dichlorophenyl)-N-[2-[2-(4-fluorophenyl)acetyl]-4-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 147531999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).