N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide

C11H14N2O5 — CID 83058004

IUPACN-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)O
InChIInChI=1S/C11H14N2O5/c1-7(14)6-12-11(15)10-8(13(16)17)4-3-5-9(10)18-2/h3-5,7,14H,6H2,1-2H3,(H,12,15)/t7-/m1/s1
InChIKeyZTUYHFNESZBMEE-SSDOTTSWSA-N
MW254.24 g/mol
LogP0.71
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide

N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide (PubChem CID 83058004) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
PubChem CID83058004
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)O
InChIInChI=1S/C11H14N2O5/c1-7(14)6-12-11(15)10-8(13(16)17)4-3-5-9(10)18-2/h3-5,7,14H,6H2,1-2H3,(H,12,15)/t7-/m1/s1
InChIKeyZTUYHFNESZBMEE-SSDOTTSWSA-N
XLogP0.71
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.71
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-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
(2S)-2-hydroxy-4-[(2-methoxy-6-nitrobenzoyl)amino]butanoic acid
CID 107834695
2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-6-nitrobenzamide
CID 81413714
N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
CID 83031412
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-6-nitrobenzamide
CID 81414526
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-6-nitrobenzamide
CID 106168769
2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385156
N-(2-hydroxy-2-methylpentyl)-2-methoxy-6-nitrobenzamide
CID 106290157
3-methoxy-2-[(2-methoxy-6-nitrobenzoyl)amino]propanoic acid
CID 81395438
N-[(2S)-2-hydroxypropyl]-2-methoxy-4-nitrobenzamide
CID 113452647
2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 81414361

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide (CID 83058004) is N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide is COc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)O.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide?
The InChIKey is ZTUYHFNESZBMEE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(14)6-12-11(15)10-8(13(16)17)4-3-5-9(10)18-2/h3-5,7,14H,6H2,1-2H3,(H,12,15)/t7-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide?
N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide has a molecular weight of 254.24 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide is sourced from PubChem (CID 83058004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).