2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide

C19H20N2O6 — CID 43057820

IUPAC2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C19H20N2O6/c1-25-18-8-7-14(21(23)24)11-17(18)19(22)20-13-4-2-5-15(10-13)27-12-16-6-3-9-26-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,20,22)
InChIKeyOFBLJSCVBURYQS-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.41
Rot. Bonds7

About 2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide

2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 43057820) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID43057820
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C19H20N2O6/c1-25-18-8-7-14(21(23)24)11-17(18)19(22)20-13-4-2-5-15(10-13)27-12-16-6-3-9-26-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,20,22)
InChIKeyOFBLJSCVBURYQS-UHFFFAOYSA-N
XLogP3.41
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 46411615
2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 78788516
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
3-bromo-4-methoxy-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17141980
6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51964249
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
CID 17141950
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
1-[(2S)-4-methoxybutan-2-yl]-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95288894

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 43057820) is 2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide is COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is OFBLJSCVBURYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-25-18-8-7-14(21(23)24)11-17(18)19(22)20-13-4-2-5-15(10-13)27-12-16-6-3-9-26-16/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,20,22).
What are the key properties of 2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 372.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 43057820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).