N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide

C17H14F3N3O5 — CID 3755609

IUPACN-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C17H14F3N3O5/c1-27-11-6-4-10(5-7-11)13(24)21-16(17(18,19)20)14(25)23(15(26)22-16)9-12-3-2-8-28-12/h2-8H,9H2,1H3,(H,21,24)(H,22,26)
InChIKeyKKRYEILMXNIHLC-UHFFFAOYSA-N
MW397.31 g/mol
LogP2.03
Rot. Bonds5

About N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide

N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide (PubChem CID 3755609) has the molecular formula C17H14F3N3O5 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
PubChem CID3755609
Molecular FormulaC17H14F3N3O5
Molecular Weight397.31 g/mol
Exact Mass397.09
IUPAC NameN-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(Cc3ccco3)C2=O)cc1
InChIInChI=1S/C17H14F3N3O5/c1-27-11-6-4-10(5-7-11)13(24)21-16(17(18,19)20)14(25)23(15(26)22-16)9-12-3-2-8-28-12/h2-8H,9H2,1H3,(H,21,24)(H,22,26)
InChIKeyKKRYEILMXNIHLC-UHFFFAOYSA-N
XLogP2.03
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide (CID 3755609) is N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2(C(F)(F)F)NC(=O)N(Cc3ccco3)C2=O)cc1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide?
The InChIKey is KKRYEILMXNIHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O5/c1-27-11-6-4-10(5-7-11)13(24)21-16(17(18,19)20)14(25)23(15(26)22-16)9-12-3-2-8-28-12/h2-8H,9H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide?
N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide has a molecular weight of 397.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 3755609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).