4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide

C16H16N2O5 — CID 102553914

IUPAC4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
SMILESCOC(C)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O5/c1-10(23-2)11-4-3-5-13(8-11)17-16(20)12-6-7-15(19)14(9-12)18(21)22/h3-10,19H,1-2H3,(H,17,20)
InChIKeyROZQXUYIKTVLIZ-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.26
Rot. Bonds5

About 4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide

4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide (PubChem CID 102553914) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
PubChem CID102553914
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
SMILESCOC(C)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O5/c1-10(23-2)11-4-3-5-13(8-11)17-16(20)12-6-7-15(19)14(9-12)18(21)22/h3-10,19H,1-2H3,(H,17,20)
InChIKeyROZQXUYIKTVLIZ-UHFFFAOYSA-N
XLogP3.26
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.26
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

2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
CID 102560035
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 4099768
4-bromo-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 26177953
4-chloro-N-[3-[(1R)-1-hydroxyethyl]phenyl]-3-nitrobenzamide
CID 100803593
4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 42236853
4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9151199
4-hydroxy-N-(2-methoxy-1-phenylethyl)-3-nitrobenzamide
CID 102561312
2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119183841
4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
CID 8713916
N-(3-acetylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 7770467
N-[3-(dimethylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 84577418
N-(3-methylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 7732929

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide?
The IUPAC name of 4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide (CID 102553914) is 4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide is COC(C)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide?
The InChIKey is ROZQXUYIKTVLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-10(23-2)11-4-3-5-13(8-11)17-16(20)12-6-7-15(19)14(9-12)18(21)22/h3-10,19H,1-2H3,(H,17,20).
What are the key properties of 4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide?
4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide has a molecular weight of 316.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 102553914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).