5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide

C10H12N2O5 — CID 165400648

IUPAC5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide
SMILESCOc1c(C(N)=O)cc(CCO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O5/c1-17-9-7(10(11)14)4-6(2-3-13)5-8(9)12(15)16/h4-5,13H,2-3H2,1H3,(H2,11,14)
InChIKeyZKPDCVCGIRBBKB-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.24
Rot. Bonds5

About 5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide

5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide (PubChem CID 165400648) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide
PubChem CID165400648
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide
SMILESCOc1c(C(N)=O)cc(CCO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O5/c1-17-9-7(10(11)14)4-6(2-3-13)5-8(9)12(15)16/h4-5,13H,2-3H2,1H3,(H2,11,14)
InChIKeyZKPDCVCGIRBBKB-UHFFFAOYSA-N
XLogP0.24
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.24
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

5-ethyl-2-methoxy-3-nitrobenzoyl chloride
CID 50882213
4-methoxy-3,5-dinitrobenzohydrazide
CID 4298975
1-(5-amino-2-methoxy-3-nitrophenyl)ethanone
CID 131574213
2-(4-methoxy-3-nitronaphthalen-1-yl)ethanol
CID 21417941
2,5-dimethyl-3-nitrobenzamide
CID 119008464
2-methoxy-3,5-dinitrobenzoic acid
CID 606681
3-cyano-4-methoxy-5-nitrobenzamide
CID 171031401
(3-fluoro-4-methoxy-5-nitrophenyl)methanamine
CID 82506050
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074
5-chloro-2-methoxy-3-nitrobenzoic acid
CID 43449069
3-formyl-2-methoxy-5-nitrobenzamide
CID 171022744
5-(iodomethyl)-1,2-dimethoxy-3-nitrobenzene
CID 22959553

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide?
The IUPAC name of 5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide (CID 165400648) is 5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide?
The canonical SMILES for 5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide is COc1c(C(N)=O)cc(CCO)cc1[N+](=O)[O-].
What is the InChIKey of 5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide?
The InChIKey is ZKPDCVCGIRBBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-17-9-7(10(11)14)4-6(2-3-13)5-8(9)12(15)16/h4-5,13H,2-3H2,1H3,(H2,11,14).
What are the key properties of 5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide?
5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide has a molecular weight of 240.21 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-methoxy-3-nitrobenzamide is sourced from PubChem (CID 165400648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).