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

C18H13F4N3O4 — CID 41063050

IUPACN-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H13F4N3O4/c1-29-13-8-2-10(3-9-13)14(26)23-17(18(20,21)22)15(27)25(16(28)24-17)12-6-4-11(19)5-7-12/h2-9H,1H3,(H,23,26)(H,24,28)/t17-/m0/s1
InChIKeyDTGSAKHZMJCYAM-KRWDZBQOSA-N
MW411.31 g/mol
LogP2.58
Rot. Bonds4

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

N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide (PubChem CID 41063050) has the molecular formula C18H13F4N3O4 and a molecular weight of 411.31 g/mol. Its IUPAC name is N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
PubChem CID41063050
Molecular FormulaC18H13F4N3O4
Molecular Weight411.31 g/mol
Exact Mass411.08
IUPAC NameN-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H13F4N3O4/c1-29-13-8-2-10(3-9-13)14(26)23-17(18(20,21)22)15(27)25(16(28)24-17)12-6-4-11(19)5-7-12/h2-9H,1H3,(H,23,26)(H,24,28)/t17-/m0/s1
InChIKeyDTGSAKHZMJCYAM-KRWDZBQOSA-N
XLogP2.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 46500658
N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 4275035
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
N-[(4S)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
CID 2217182
4-methoxy-N-[1-(2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 17388411
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2001470
N-[(4R)-1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 40918112
N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 28947474
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429
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

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide (CID 41063050) is N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide?
The InChIKey is DTGSAKHZMJCYAM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H13F4N3O4/c1-29-13-8-2-10(3-9-13)14(26)23-17(18(20,21)22)15(27)25(16(28)24-17)12-6-4-11(19)5-7-12/h2-9H,1H3,(H,23,26)(H,24,28)/t17-/m0/s1.
What are the key properties of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide?
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide has a molecular weight of 411.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 41063050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).