4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide

C17H15N3O6 — CID 27972767

IUPAC4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C=O)cc1
InChIInChI=1S/C17H15N3O6/c1-18-17(23)11-2-4-13(5-3-11)19-16(22)10-26-15-7-6-14(20(24)25)8-12(15)9-21/h2-9H,10H2,1H3,(H,18,23)(H,19,22)
InChIKeyLBRIYDNSKWSWOD-UHFFFAOYSA-N
MW357.32 g/mol
LogP1.78
Rot. Bonds7

About 4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide

4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide (PubChem CID 27972767) has the molecular formula C17H15N3O6 and a molecular weight of 357.32 g/mol. Its IUPAC name is 4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide
PubChem CID27972767
Molecular FormulaC17H15N3O6
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C=O)cc1
InChIInChI=1S/C17H15N3O6/c1-18-17(23)11-2-4-13(5-3-11)19-16(22)10-26-15-7-6-14(20(24)25)8-12(15)9-21/h2-9H,10H2,1H3,(H,18,23)(H,19,22)
InChIKeyLBRIYDNSKWSWOD-UHFFFAOYSA-N
XLogP1.78
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide
CID 9199687
N-[4-(azepan-1-yl)phenyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 8808920
N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide
CID 17359066
2-(2-formyl-4-nitrophenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 34743808
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743716
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620
4-[(2-formyl-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 8534889
N-(4-acetylphenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578425
N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34744103
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
N-(3-chloro-2-methylphenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743749

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide (CID 27972767) is 4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2C=O)cc1.
What is the InChIKey of 4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide?
The InChIKey is LBRIYDNSKWSWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6/c1-18-17(23)11-2-4-13(5-3-11)19-16(22)10-26-15-7-6-14(20(24)25)8-12(15)9-21/h2-9H,10H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide?
4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide has a molecular weight of 357.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-formyl-4-nitrophenoxy)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 27972767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).