N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

C17H12ClF5N4O3 — CID 175417256

About N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide

N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 175417256) has the molecular formula C17H12ClF5N4O3 and a molecular weight of 450.75 g/mol. Its IUPAC name is N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 175417256
• Molecular Formula: C17H12ClF5N4O3
• Molecular Weight: 450.75 g/mol
• Exact Mass: 450.05
• IUPAC Name: N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
• SMILES: O=C1NCC(C(=O)N[C@@H](c2cnc(OC(F)F)c(F)c2)c2ccc(F)c(Cl)c2F)N1
• InChI: InChI=1S/C17H12ClF5N4O3/c18-11-8(19)2-1-7(12(11)21)13(27-14(28)10-5-25-17(29)26-10)6-3-9(20)15(24-4-6)30-16(22)23/h1-4,10,13,16H,5H2,(H,27,28)(H2,25,26,29)/t10?,13-/m0/s1
• InChIKey: ALCMELVDOLODSW-HQVZTVAUSA-N
• XLogP: 2.64
• TPSA: 92.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.75
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 175417256) is N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.

What is the SMILES notation for N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NCC(C(=O)N[C@@H](c2cnc(OC(F)F)c(F)c2)c2ccc(F)c(Cl)c2F)N1.

What is the InChIKey of N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is ALCMELVDOLODSW-HQVZTVAUSA-N. The full InChI is InChI=1S/C17H12ClF5N4O3/c18-11-8(19)2-1-7(12(11)21)13(27-14(28)10-5-25-17(29)26-10)6-3-9(20)15(24-4-6)30-16(22)23/h1-4,10,13,16H,5H2,(H,27,28)(H2,25,26,29)/t10?,13-/m0/s1.

What are the key properties of N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?

N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 450.75 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 175417256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).