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

C16H16N2O5 — CID 102560035

IUPAC2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
SMILESCOC(C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C16H16N2O5/c1-10(23-2)11-5-3-6-12(9-11)17-16(20)13-7-4-8-14(15(13)19)18(21)22/h3-10,19H,1-2H3,(H,17,20)
InChIKeyRRIXDGOCWLDBHO-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.26
Rot. Bonds5

About 2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide

2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide (PubChem CID 102560035) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
PubChem CID102560035
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
SMILESCOC(C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C16H16N2O5/c1-10(23-2)11-5-3-6-12(9-11)17-16(20)13-7-4-8-14(15(13)19)18(21)22/h3-10,19H,1-2H3,(H,17,20)
InChIKeyRRIXDGOCWLDBHO-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

4-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
CID 102553914
N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740871
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107613195
2-nitro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154668
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide
CID 103746259
N-[3-[(1S)-1-methoxyethyl]phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 95302089
4-chloro-2-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 9293301
2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide
CID 103800130

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide (CID 102560035) is 2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide is COC(C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1.
What is the InChIKey of 2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide?
The InChIKey is RRIXDGOCWLDBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-10(23-2)11-5-3-6-12(9-11)17-16(20)13-7-4-8-14(15(13)19)18(21)22/h3-10,19H,1-2H3,(H,17,20).
What are the key properties of 2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide?
2-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 2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 102560035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).