5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide

C22H18N4O5 — CID 55758538

IUPAC5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C22H18N4O5/c27-21(24-15-6-8-16(9-7-15)25-13-12-23-22(25)28)19-14-17(26(29)30)10-11-20(19)31-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,28)(H,24,27)
InChIKeyXUTGDGSOQKGXFA-UHFFFAOYSA-N
MW418.41 g/mol
LogP4.17
Rot. Bonds6

About 5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide

5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide (PubChem CID 55758538) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is 5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide.

Molecular Properties

Compound Name5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide
PubChem CID55758538
Molecular FormulaC22H18N4O5
Molecular Weight418.41 g/mol
Exact Mass418.13
IUPAC Name5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C22H18N4O5/c27-21(24-15-6-8-16(9-7-15)25-13-12-23-22(25)28)19-14-17(26(29)30)10-11-20(19)31-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,28)(H,24,27)
InChIKeyXUTGDGSOQKGXFA-UHFFFAOYSA-N
XLogP4.17
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-nitro-2-phenoxybenzamide
CID 49169005
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55758189
1-(2-chloro-4-nitrophenyl)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 47717037
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
5-nitro-2-phenoxy-N-piperidin-4-ylbenzamide
CID 119386925
1-(5-nitro-2-phenoxybenzoyl)-N-phenylpiperidine-4-carboxamide
CID 52637096
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55757498
(2,4-dinitrophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 89251732
5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 55752798
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide
CID 52636946

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide?
The IUPAC name of 5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide (CID 55758538) is 5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide.
What is the SMILES notation for 5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide?
The canonical SMILES for 5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide is O=C(Nc1ccc(N2CCNC2=O)cc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1.
What is the InChIKey of 5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide?
The InChIKey is XUTGDGSOQKGXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5/c27-21(24-15-6-8-16(9-7-15)25-13-12-23-22(25)28)19-14-17(26(29)30)10-11-20(19)31-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,28)(H,24,27).
What are the key properties of 5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide?
5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide has a molecular weight of 418.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-phenoxybenzamide is sourced from PubChem (CID 55758538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).