4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide

C23H18ClF3N4O3 — CID 171349640

IUPAC4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)C3=O)cc2)ccn1
InChIInChI=1S/C23H18ClF3N4O3/c1-28-21(32)20-13-17(8-9-29-20)34-16-5-2-14(3-6-16)30-10-11-31(22(30)33)15-4-7-19(24)18(12-15)23(25,26)27/h2-9,12-13H,10-11H2,1H3,(H,28,32)
InChIKeyIIVWNQZTDPKNMN-UHFFFAOYSA-N
MW490.87 g/mol
LogP5.35
Rot. Bonds5

About 4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 171349640) has the molecular formula C23H18ClF3N4O3 and a molecular weight of 490.87 g/mol. Its IUPAC name is 4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID171349640
Molecular FormulaC23H18ClF3N4O3
Molecular Weight490.87 g/mol
Exact Mass490.10
IUPAC Name4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)C3=O)cc2)ccn1
InChIInChI=1S/C23H18ClF3N4O3/c1-28-21(32)20-13-17(8-9-29-20)34-16-5-2-14(3-6-16)30-10-11-31(22(30)33)15-4-7-19(24)18(12-15)23(25,26)27/h2-9,12-13H,10-11H2,1H3,(H,28,32)
InChIKeyIIVWNQZTDPKNMN-UHFFFAOYSA-N
XLogP5.35
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.87
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide (CID 171349640) is 4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(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-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is IIVWNQZTDPKNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4O3/c1-28-21(32)20-13-17(8-9-29-20)34-16-5-2-14(3-6-16)30-10-11-31(22(30)33)15-4-7-19(24)18(12-15)23(25,26)27/h2-9,12-13H,10-11H2,1H3,(H,28,32).
What are the key properties of 4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 490.87 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxoimidazolidin-1-yl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171349640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).