2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C17H12ClF3N4O3 — CID 3598053

IUPAC2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccccc1Cl
InChIInChI=1S/C17H12ClF3N4O3/c18-12-6-2-1-5-11(12)13(26)23-16(17(19,20)21)14(27)25(15(28)24-16)9-10-4-3-7-22-8-10/h1-8H,9H2,(H,23,26)(H,24,28)
InChIKeyXFUCJICKAALERA-UHFFFAOYSA-N
MW412.76 g/mol
LogP2.48
Rot. Bonds4

About 2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 3598053) has the molecular formula C17H12ClF3N4O3 and a molecular weight of 412.76 g/mol. Its IUPAC name is 2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID3598053
Molecular FormulaC17H12ClF3N4O3
Molecular Weight412.76 g/mol
Exact Mass412.06
IUPAC Name2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccccc1Cl
InChIInChI=1S/C17H12ClF3N4O3/c18-12-6-2-1-5-11(12)13(26)23-16(17(19,20)21)14(27)25(15(28)24-16)9-10-4-3-7-22-8-10/h1-8H,9H2,(H,23,26)(H,24,28)
InChIKeyXFUCJICKAALERA-UHFFFAOYSA-N
XLogP2.48
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.76
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 3598053) is 2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is O=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is XFUCJICKAALERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O3/c18-12-6-2-1-5-11(12)13(26)23-16(17(19,20)21)14(27)25(15(28)24-16)9-10-4-3-7-22-8-10/h1-8H,9H2,(H,23,26)(H,24,28).
What are the key properties of 2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 412.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 3598053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).