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

C17H12ClF5N4O2 — CID 162520749

IUPAC(4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(C(F)F)n2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C17H12ClF5N4O2/c18-11-7(19)2-1-6(12(11)21)13(27-16(28)10-5-24-17(29)26-10)9-4-3-8(20)14(25-9)15(22)23/h1-4,10,13,15H,5H2,(H,27,28)(H2,24,26,29)/t10-,13?/m0/s1
InChIKeyOBNWXWOYFUQXQG-NKUHCKNESA-N
MW434.75 g/mol
LogP2.98
Rot. Bonds5

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

(4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520749) has the molecular formula C17H12ClF5N4O2 and a molecular weight of 434.75 g/mol. Its IUPAC name is (4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520749
Molecular FormulaC17H12ClF5N4O2
Molecular Weight434.75 g/mol
Exact Mass434.06
IUPAC Name(4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(C(F)F)n2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C17H12ClF5N4O2/c18-11-7(19)2-1-6(12(11)21)13(27-16(28)10-5-24-17(29)26-10)9-4-3-8(20)14(25-9)15(22)23/h1-4,10,13,15H,5H2,(H,27,28)(H2,24,26,29)/t10-,13?/m0/s1
InChIKeyOBNWXWOYFUQXQG-NKUHCKNESA-N
XLogP2.98
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.75
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520749) is (4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(F)c(C(F)F)n2)c2ccc(F)c(Cl)c2F)N1.
What is the InChIKey of (4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is OBNWXWOYFUQXQG-NKUHCKNESA-N. The full InChI is InChI=1S/C17H12ClF5N4O2/c18-11-7(19)2-1-6(12(11)21)13(27-16(28)10-5-24-17(29)26-10)9-4-3-8(20)14(25-9)15(22)23/h1-4,10,13,15H,5H2,(H,27,28)(H2,24,26,29)/t10-,13?/m0/s1.
What are the key properties of (4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 434.75 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).