2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide

C14H18N2O5 — CID 99717080

IUPAC2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1O)C1CCOCC1
InChIInChI=1S/C14H18N2O5/c1-9(10-5-7-21-8-6-10)15-14(18)11-3-2-4-12(13(11)17)16(19)20/h2-4,9-10,17H,5-8H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyQNGZIWCGXZFNKA-SECBINFHSA-N
MW294.31 g/mol
LogP1.85
Rot. Bonds4

About 2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide

2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide (PubChem CID 99717080) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
PubChem CID99717080
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1O)C1CCOCC1
InChIInChI=1S/C14H18N2O5/c1-9(10-5-7-21-8-6-10)15-14(18)11-3-2-4-12(13(11)17)16(19)20/h2-4,9-10,17H,5-8H2,1H3,(H,15,18)/t9-/m1/s1
InChIKeyQNGZIWCGXZFNKA-SECBINFHSA-N
XLogP1.85
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.85
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-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide
CID 99577391
2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104862632
N-(3-ethylpentan-2-yl)-2-hydroxy-3-nitrobenzamide
CID 102741844
2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103769325
N-[1-(furan-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
CID 103799854
3-chloro-4-nitro-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103873347
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
2-hydroxy-3-nitro-N-pent-4-en-2-ylbenzamide
CID 103800269
5-fluoro-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 115648956
N-[1-(oxan-4-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 102559752
2-nitro-N-[(1S)-1-(oxan-4-yl)ethyl]aniline
CID 124679742
N-[(2-nitrophenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103901284

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide (CID 99717080) is 2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide is C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1O)C1CCOCC1.
What is the InChIKey of 2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide?
The InChIKey is QNGZIWCGXZFNKA-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(10-5-7-21-8-6-10)15-14(18)11-3-2-4-12(13(11)17)16(19)20/h2-4,9-10,17H,5-8H2,1H3,(H,15,18)/t9-/m1/s1.
What are the key properties of 2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide?
2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitro-N-[(1R)-1-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 99717080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).