4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide

C20H12N2O5 — CID 15999780

IUPAC4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide
SMILESO=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H12N2O5/c23-19(13-5-8-14(9-6-13)22(25)26)21-17-11-16-15-4-2-1-3-12(15)7-10-18(16)27-20(17)24/h1-11H,(H,21,23)
InChIKeyGRDCPTZPVHXGMC-UHFFFAOYSA-N
MW360.33 g/mol
LogP4.11
Rot. Bonds3

About 4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide

4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide (PubChem CID 15999780) has the molecular formula C20H12N2O5 and a molecular weight of 360.33 g/mol. Its IUPAC name is 4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide
PubChem CID15999780
Molecular FormulaC20H12N2O5
Molecular Weight360.33 g/mol
Exact Mass360.07
IUPAC Name4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide
SMILESO=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H12N2O5/c23-19(13-5-8-14(9-6-13)22(25)26)21-17-11-16-15-4-2-1-3-12(15)7-10-18(16)27-20(17)24/h1-11H,(H,21,23)
InChIKeyGRDCPTZPVHXGMC-UHFFFAOYSA-N
XLogP4.11
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide
CID 4558442
(E)-3-(3-nitrophenyl)-N-(3-oxobenzo[f]chromen-2-yl)prop-2-enamide
CID 46496423
4-chloro-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 2797850
4-methoxy-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 827907
2-[3-(4-nitrophenyl)prop-2-enoyl]benzo[f]chromen-3-one
CID 71334579
2-nitrobenzo[f]chromen-3-one
CID 13399886
3,4-dimethyl-N-(6-nitro-2-oxochromen-3-yl)benzamide
CID 4558151
2-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzo[f]chromen-3-one
CID 4036429
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
N-[4-[(6-nitro-2-oxochromen-4-yl)amino]phenyl]naphthalene-2-carboxamide
CID 171475643
3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide?
The IUPAC name of 4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide (CID 15999780) is 4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide.
What is the SMILES notation for 4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide?
The canonical SMILES for 4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide is O=C(Nc1cc2c(ccc3ccccc32)oc1=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide?
The InChIKey is GRDCPTZPVHXGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O5/c23-19(13-5-8-14(9-6-13)22(25)26)21-17-11-16-15-4-2-1-3-12(15)7-10-18(16)27-20(17)24/h1-11H,(H,21,23).
What are the key properties of 4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide?
4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide has a molecular weight of 360.33 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(3-oxobenzo[f]chromen-2-yl)benzamide is sourced from PubChem (CID 15999780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).