N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide

C16H9F6N3O5 — CID 42558547

IUPACN-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccco1
InChIInChI=1S/C16H9F6N3O5/c17-15(18,19)14(23-11(26)10-2-1-7-29-10)12(27)25(13(28)24-14)8-3-5-9(6-4-8)30-16(20,21)22/h1-7H,(H,23,26)(H,24,28)/t14-/m0/s1
InChIKeyYHEJQEMBXIXYIJ-AWEZNQCLSA-N
MW437.25 g/mol
LogP2.92
Rot. Bonds4

About N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide

N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (PubChem CID 42558547) has the molecular formula C16H9F6N3O5 and a molecular weight of 437.25 g/mol. Its IUPAC name is N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
PubChem CID42558547
Molecular FormulaC16H9F6N3O5
Molecular Weight437.25 g/mol
Exact Mass437.04
IUPAC NameN-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccco1
InChIInChI=1S/C16H9F6N3O5/c17-15(18,19)14(23-11(26)10-2-1-7-29-10)12(27)25(13(28)24-14)8-3-5-9(6-4-8)30-16(20,21)22/h1-7H,(H,23,26)(H,24,28)/t14-/m0/s1
InChIKeyYHEJQEMBXIXYIJ-AWEZNQCLSA-N
XLogP2.92
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 4275035
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 7044502
N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 42558546
N-[(4R)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 40918112
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
(5S)-5-(4-methoxyanilino)-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 40844971
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 42559353
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2001470
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429
4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 17388411

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide (CID 42558547) is N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is O=C(N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O)c1ccco1.
What is the InChIKey of N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
The InChIKey is YHEJQEMBXIXYIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H9F6N3O5/c17-15(18,19)14(23-11(26)10-2-1-7-29-10)12(27)25(13(28)24-14)8-3-5-9(6-4-8)30-16(20,21)22/h1-7H,(H,23,26)(H,24,28)/t14-/m0/s1.
What are the key properties of N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide?
N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide has a molecular weight of 437.25 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 42558547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).