N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide

C22H19N3O6 — CID 55865426

IUPACN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C22H19N3O6/c1-30-19-10-2-3-11-20(19)31-14-21(26)23-16-7-5-8-17(13-16)24-22(27)15-6-4-9-18(12-15)25(28)29/h2-13H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyDSXYTAPHRDTTKB-UHFFFAOYSA-N
MW421.41 g/mol
LogP3.87
Rot. Bonds8

About N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide

N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide (PubChem CID 55865426) has the molecular formula C22H19N3O6 and a molecular weight of 421.41 g/mol. Its IUPAC name is N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
PubChem CID55865426
Molecular FormulaC22H19N3O6
Molecular Weight421.41 g/mol
Exact Mass421.13
IUPAC NameN-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C22H19N3O6/c1-30-19-10-2-3-11-20(19)31-14-21(26)23-16-7-5-8-17(13-16)24-22(27)15-6-4-9-18(12-15)25(28)29/h2-13H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyDSXYTAPHRDTTKB-UHFFFAOYSA-N
XLogP3.87
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-methylbenzamide
CID 17252265
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
N-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 126265070
[2-(3-nitroanilino)-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 2539798
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-[(E)-[3-iodo-5-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 126261536
4-tert-butyl-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 3894529

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide?
The IUPAC name of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide (CID 55865426) is N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide?
The canonical SMILES for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide is COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide?
The InChIKey is DSXYTAPHRDTTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6/c1-30-19-10-2-3-11-20(19)31-14-21(26)23-16-7-5-8-17(13-16)24-22(27)15-6-4-9-18(12-15)25(28)29/h2-13H,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide?
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide has a molecular weight of 421.41 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide is sourced from PubChem (CID 55865426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).