4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide

C16H16N2O5 — CID 99717489

IUPAC4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide
SMILESCOCc1ccccc1CNC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-23-10-13-5-3-2-4-12(13)9-17-16(20)11-6-7-15(19)14(8-11)18(21)22/h2-8,19H,9-10H2,1H3,(H,17,20)
InChIKeyYGPITKNJYWKFKB-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.38
Rot. Bonds6

About 4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide

4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide (PubChem CID 99717489) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide
PubChem CID99717489
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide
SMILESCOCc1ccccc1CNC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O5/c1-23-10-13-5-3-2-4-12(13)9-17-16(20)11-6-7-15(19)14(8-11)18(21)22/h2-8,19H,9-10H2,1H3,(H,17,20)
InChIKeyYGPITKNJYWKFKB-UHFFFAOYSA-N
XLogP2.38
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.38
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-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
3-(methoxymethyl)-N-[(2-nitrophenyl)methyl]benzamide
CID 87004965
N-[[2-(methoxymethyl)phenyl]methyl]-5-methylsulfanyl-2-nitrobenzamide
CID 32604919
4-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602161
3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
CID 32604559
3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602369
4-hydroxy-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 91647846
N-[[2-(methoxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762844
N-[[2-(methoxymethyl)phenyl]methyl]-3-sulfamoylbenzamide
CID 34684530
4-hydroxy-N-(2-methoxy-1-phenylethyl)-3-nitrobenzamide
CID 102561312
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658
N-[(2-ethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 53279519

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide?
The IUPAC name of 4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide (CID 99717489) is 4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide.
What is the SMILES notation for 4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide?
The canonical SMILES for 4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide is COCc1ccccc1CNC(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide?
The InChIKey is YGPITKNJYWKFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-23-10-13-5-3-2-4-12(13)9-17-16(20)11-6-7-15(19)14(8-11)18(21)22/h2-8,19H,9-10H2,1H3,(H,17,20).
What are the key properties of 4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide?
4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide has a molecular weight of 316.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[2-(methoxymethyl)phenyl]methyl]-3-nitrobenzamide is sourced from PubChem (CID 99717489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).