3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide

C23H21N3O5 — CID 60515233

IUPAC3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H21N3O5/c27-22(15-25-23(28)19-9-5-10-20(13-19)26(29)30)24-14-18-8-4-11-21(12-18)31-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,24,27)(H,25,28)
InChIKeyUYXTVMKJQMJIBB-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.22
Rot. Bonds9

About 3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide

3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide (PubChem CID 60515233) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide
PubChem CID60515233
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C23H21N3O5/c27-22(15-25-23(28)19-9-5-10-20(13-19)26(29)30)24-14-18-8-4-11-21(12-18)31-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,24,27)(H,25,28)
InChIKeyUYXTVMKJQMJIBB-UHFFFAOYSA-N
XLogP3.22
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.22
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

3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide
CID 55847377
N-benzyl-3-nitro(11C)benzamide
CID 71606846
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843444
3-[(3-nitrophenoxy)methyl]benzoic acid
CID 14974400
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710
3-nitro-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 40728196
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721
N-[(3-phenylmethoxyphenyl)methyl]-2H-benzotriazole-5-carboxamide
CID 60515368
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900659
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
3-nitro-N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 27662135

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide?
The IUPAC name of 3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide (CID 60515233) is 3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide is O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide?
The InChIKey is UYXTVMKJQMJIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c27-22(15-25-23(28)19-9-5-10-20(13-19)26(29)30)24-14-18-8-4-11-21(12-18)31-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,24,27)(H,25,28).
What are the key properties of 3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide?
3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide has a molecular weight of 419.44 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 60515233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).