N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide

C17H14F3N3O5 — CID 7044526

IUPACN-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(Cc3ccco3)C2=O)c1
InChIInChI=1S/C17H14F3N3O5/c1-27-11-5-2-4-10(8-11)13(24)21-16(17(18,19)20)14(25)23(15(26)22-16)9-12-6-3-7-28-12/h2-8H,9H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1
InChIKeyZOKZNPFBPXMLQV-MRXNPFEDSA-N
MW397.31 g/mol
LogP2.03
Rot. Bonds5

About N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide

N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide (PubChem CID 7044526) has the molecular formula C17H14F3N3O5 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
PubChem CID7044526
Molecular FormulaC17H14F3N3O5
Molecular Weight397.31 g/mol
Exact Mass397.09
IUPAC NameN-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(Cc3ccco3)C2=O)c1
InChIInChI=1S/C17H14F3N3O5/c1-27-11-5-2-4-10(8-11)13(24)21-16(17(18,19)20)14(25)23(15(26)22-16)9-12-6-3-7-28-12/h2-8H,9H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1
InChIKeyZOKZNPFBPXMLQV-MRXNPFEDSA-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-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide (CID 7044526) is N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N(Cc3ccco3)C2=O)c1.
What is the InChIKey of N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide?
The InChIKey is ZOKZNPFBPXMLQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14F3N3O5/c1-27-11-5-2-4-10(8-11)13(24)21-16(17(18,19)20)14(25)23(15(26)22-16)9-12-6-3-7-28-12/h2-8H,9H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1.
What are the key properties of N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide?
N-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-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-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 7044526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).