N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide

C11H14N2O5 — CID 83031412

IUPACN-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](C)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-7(14)6-12-11(15)8-3-4-10(18-2)9(5-8)13(16)17/h3-5,7,14H,6H2,1-2H3,(H,12,15)/t7-/m1/s1
InChIKeyZJVQTBVOJZYVMA-SSDOTTSWSA-N
MW254.24 g/mol
LogP0.71
Rot. Bonds5

About N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide

N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide (PubChem CID 83031412) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
PubChem CID83031412
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](C)O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O5/c1-7(14)6-12-11(15)8-3-4-10(18-2)9(5-8)13(16)17/h3-5,7,14H,6H2,1-2H3,(H,12,15)/t7-/m1/s1
InChIKeyZJVQTBVOJZYVMA-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-(4-hydroxy-2-methylbutyl)-4-methoxy-3-nitrobenzamide
CID 66107117
4-methoxy-N-(3-methyl-2-oxobutyl)-3-nitrobenzamide
CID 64996817
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 71942061
N-[(2R)-2-hydroxypropyl]-4-methylsulfanyl-3-nitrobenzamide
CID 83032433
N-[(2S)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 83030965
3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide
CID 55103599
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
CID 83058004
N-(2,3-dihydroxypropyl)-3-methoxy-4-nitrobenzamide
CID 90285139
N-(3-hydroxy-2-methylpropyl)-3-methoxy-4-nitrobenzamide
CID 115749189
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide (CID 83031412) is N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)NC[C@@H](C)O)cc1[N+](=O)[O-].
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is ZJVQTBVOJZYVMA-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(14)6-12-11(15)8-3-4-10(18-2)9(5-8)13(16)17/h3-5,7,14H,6H2,1-2H3,(H,12,15)/t7-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide?
N-[(2R)-2-hydroxypropyl]-4-methoxy-3-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]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 83031412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).