4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

C24H19ClF3N5O4 — CID 171358758

IUPAC4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)C3=O)cc2)ccn1
InChIInChI=1S/C24H19ClF3N5O4/c1-29-21(34)20-13-17(8-9-30-20)37-16-5-2-14(3-6-16)31-22(35)33-11-10-32(23(33)36)15-4-7-19(25)18(12-15)24(26,27)28/h2-9,12-13H,10-11H2,1H3,(H,29,34)(H,31,35)
InChIKeyGFNDMWSSNZHOPM-UHFFFAOYSA-N
MW533.89 g/mol
LogP5.38
Rot. Bonds5

About 4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 171358758) has the molecular formula C24H19ClF3N5O4 and a molecular weight of 533.89 g/mol. Its IUPAC name is 4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID171358758
Molecular FormulaC24H19ClF3N5O4
Molecular Weight533.89 g/mol
Exact Mass533.11
IUPAC Name4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)C3=O)cc2)ccn1
InChIInChI=1S/C24H19ClF3N5O4/c1-29-21(34)20-13-17(8-9-30-20)37-16-5-2-14(3-6-16)31-22(35)33-11-10-32(23(33)36)15-4-7-19(25)18(12-15)24(26,27)28/h2-9,12-13H,10-11H2,1H3,(H,29,34)(H,31,35)
InChIKeyGFNDMWSSNZHOPM-UHFFFAOYSA-N
XLogP5.38
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.89
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide (CID 171358758) is 4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)C3=O)cc2)ccn1.
What is the InChIKey of 4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is GFNDMWSSNZHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O4/c1-29-21(34)20-13-17(8-9-30-20)37-16-5-2-14(3-6-16)31-22(35)33-11-10-32(23(33)36)15-4-7-19(25)18(12-15)24(26,27)28/h2-9,12-13H,10-11H2,1H3,(H,29,34)(H,31,35).
What are the key properties of 4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 533.89 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidine-1-carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171358758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).