N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide

C19H18N4O5 — CID 7603366

IUPACN-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1=O
InChIInChI=1S/C19H18N4O5/c1-3-19(14-7-5-4-6-8-14)17(25)22(18(26)20-19)21-16(24)13-9-10-15(23(27)28)12(2)11-13/h4-11H,3H2,1-2H3,(H,20,26)(H,21,24)/t19-/m1/s1
InChIKeyMLNCAOINIFBJFR-LJQANCHMSA-N
MW382.38 g/mol
LogP2.41
Rot. Bonds5

About N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide

N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide (PubChem CID 7603366) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide
PubChem CID7603366
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC NameN-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1=O
InChIInChI=1S/C19H18N4O5/c1-3-19(14-7-5-4-6-8-14)17(25)22(18(26)20-19)21-16(24)13-9-10-15(23(27)28)12(2)11-13/h4-11H,3H2,1-2H3,(H,20,26)(H,21,24)/t19-/m1/s1
InChIKeyMLNCAOINIFBJFR-LJQANCHMSA-N
XLogP2.41
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide
CID 9294657
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-phenoxybenzamide
CID 9293579
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide
CID 9294715
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 41023589
4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 9293826
N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 24549178
5-ethyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylthiophene-2-carboxamide
CID 9294395
[2-[[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290711
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-indole-2-carboxamide
CID 9294420
N-(2,3-dimethyl-6-nitrophenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179163
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24642473
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24542802

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide (CID 7603366) is N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide is CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1=O.
What is the InChIKey of N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide?
The InChIKey is MLNCAOINIFBJFR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-3-19(14-7-5-4-6-8-14)17(25)22(18(26)20-19)21-16(24)13-9-10-15(23(27)28)12(2)11-13/h4-11H,3H2,1-2H3,(H,20,26)(H,21,24)/t19-/m1/s1.
What are the key properties of N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide?
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide has a molecular weight of 382.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 7603366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).