2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide

C17H11N3O8 — CID 15994043

IUPAC2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O
InChIInChI=1S/C17H11N3O8/c1-27-15-5-3-11(20(25)26)8-12(15)16(21)18-13-7-9-6-10(19(23)24)2-4-14(9)28-17(13)22/h2-8H,1H3,(H,18,21)
InChIKeyWFAJIQFARGYVGC-UHFFFAOYSA-N
MW385.29 g/mol
LogP2.87
Rot. Bonds5

About 2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide

2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide (PubChem CID 15994043) has the molecular formula C17H11N3O8 and a molecular weight of 385.29 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide
PubChem CID15994043
Molecular FormulaC17H11N3O8
Molecular Weight385.29 g/mol
Exact Mass385.05
IUPAC Name2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O
InChIInChI=1S/C17H11N3O8/c1-27-15-5-3-11(20(25)26)8-12(15)16(21)18-13-7-9-6-10(19(23)24)2-4-14(9)28-17(13)22/h2-8H,1H3,(H,18,21)
InChIKeyWFAJIQFARGYVGC-UHFFFAOYSA-N
XLogP2.87
TPSA154.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 827907
3,4-dimethyl-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 4558151
4-chloro-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 2797850
N-(2,4-dimethylphenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 712627
N-(2,4-dinitrophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 21205557
methyl 4-methyl-3-[(6-nitro-2-oxochromene-3-carbonyl)amino]benzoate
CID 1247170
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2-oxochromene-3-carboxamide
CID 1259055
5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
CID 4982416
N-(2,4-dibromophenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 21210385
6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 739350
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide
CID 167080640

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide?
The IUPAC name of 2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide (CID 15994043) is 2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide?
The canonical SMILES for 2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide is COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O.
What is the InChIKey of 2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide?
The InChIKey is WFAJIQFARGYVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O8/c1-27-15-5-3-11(20(25)26)8-12(15)16(21)18-13-7-9-6-10(19(23)24)2-4-14(9)28-17(13)22/h2-8H,1H3,(H,18,21).
What are the key properties of 2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide?
2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide has a molecular weight of 385.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 15994043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).