N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C19H13F6N3O3 — CID 34199236

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C19H13F6N3O3/c20-18(21,22)12-5-13(19(23,24)25)7-14(6-12)27-16(30)11-3-1-10(2-4-11)9-28-15(29)8-26-17(28)31/h1-7H,8-9H2,(H,26,31)(H,27,30)
InChIKeyDFPCILNLIXCLEY-UHFFFAOYSA-N
MW445.32 g/mol
LogP4.03
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 34199236) has the molecular formula C19H13F6N3O3 and a molecular weight of 445.32 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID34199236
Molecular FormulaC19H13F6N3O3
Molecular Weight445.32 g/mol
Exact Mass445.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C19H13F6N3O3/c20-18(21,22)12-5-13(19(23,24)25)7-14(6-12)27-16(30)11-3-1-10(2-4-11)9-28-15(29)8-26-17(28)31/h1-7H,8-9H2,(H,26,31)(H,27,30)
InChIKeyDFPCILNLIXCLEY-UHFFFAOYSA-N
XLogP4.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 34199236) is N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is DFPCILNLIXCLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O3/c20-18(21,22)12-5-13(19(23,24)25)7-14(6-12)27-16(30)11-3-1-10(2-4-11)9-28-15(29)8-26-17(28)31/h1-7H,8-9H2,(H,26,31)(H,27,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 445.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 34199236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).