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

C17H12N2O6 — CID 827907

IUPAC4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1
InChIInChI=1S/C17H12N2O6/c1-24-13-5-2-10(3-6-13)16(20)18-14-9-11-8-12(19(22)23)4-7-15(11)25-17(14)21/h2-9H,1H3,(H,18,20)
InChIKeyJZOXMCPZUMIOBA-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.96
Rot. Bonds4

About 4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide

4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide (PubChem CID 827907) has the molecular formula C17H12N2O6 and a molecular weight of 340.29 g/mol. Its IUPAC name is 4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide
PubChem CID827907
Molecular FormulaC17H12N2O6
Molecular Weight340.29 g/mol
Exact Mass340.07
IUPAC Name4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1
InChIInChI=1S/C17H12N2O6/c1-24-13-5-2-10(3-6-13)16(20)18-14-9-11-8-12(19(22)23)4-7-15(11)25-17(14)21/h2-9H,1H3,(H,18,20)
InChIKeyJZOXMCPZUMIOBA-UHFFFAOYSA-N
XLogP2.96
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-chloro-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 2797850
3,4-dimethyl-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 4558151
2-methoxy-5-nitro-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 15994043
N-(2,4-dinitrophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 21205557
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
methyl 4-methyl-3-[(6-nitro-2-oxochromene-3-carbonyl)amino]benzoate
CID 1247170
[2-(4-methoxyphenyl)-2-oxoethyl] 6-nitro-2-oxochromene-3-carboxylate
CID 16645467
4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide
CID 15999780
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 6-nitro-2-oxochromene-3-carboxylate
CID 40840411
N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 44916112
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide?
The IUPAC name of 4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide (CID 827907) is 4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide is COc1ccc(C(=O)Nc2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1.
What is the InChIKey of 4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide?
The InChIKey is JZOXMCPZUMIOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O6/c1-24-13-5-2-10(3-6-13)16(20)18-14-9-11-8-12(19(22)23)4-7-15(11)25-17(14)21/h2-9H,1H3,(H,18,20).
What are the key properties of 4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide?
4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide has a molecular weight of 340.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 827907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).