6-nitro-2-oxo-N-phenylchromene-3-carboxamide

C16H10N2O5 — CID 739350

IUPAC6-nitro-2-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O
InChIInChI=1S/C16H10N2O5/c19-15(17-11-4-2-1-3-5-11)13-9-10-8-12(18(21)22)6-7-14(10)23-16(13)20/h1-9H,(H,17,19)
InChIKeyNDMMIVPXGAPYKM-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.95
Rot. Bonds3

About 6-nitro-2-oxo-N-phenylchromene-3-carboxamide

6-nitro-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 739350) has the molecular formula C16H10N2O5 and a molecular weight of 310.27 g/mol. Its IUPAC name is 6-nitro-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name6-nitro-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID739350
Molecular FormulaC16H10N2O5
Molecular Weight310.27 g/mol
Exact Mass310.06
IUPAC Name6-nitro-2-oxo-N-phenylchromene-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O
InChIInChI=1S/C16H10N2O5/c19-15(17-11-4-2-1-3-5-11)13-9-10-8-12(18(21)22)6-7-14(10)23-16(13)20/h1-9H,(H,17,19)
InChIKeyNDMMIVPXGAPYKM-UHFFFAOYSA-N
XLogP2.95
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.95
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'}

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Related Compounds

N-(3-hydroxyphenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 792576
4-[(6-nitro-2-oxochromene-3-carbonyl)amino]benzoate
CID 6971912
N-(3,4-dichlorophenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 1111848
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
6-bromo-N-[4-[(4-nitrophenyl)diazenyl]phenyl]-2-oxochromene-3-carboxamide
CID 21240129
N-(2,4-dibromophenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 21210385
N-(2,4-dimethylphenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 712627
6-nitro-2-oxochromene-3-carbonyl chloride
CID 12764546
N-methyl-6-nitro-2-oxo-N-phenylchromene-3-carboxamide
CID 4914940
methyl 4-methyl-3-[(6-nitro-2-oxochromene-3-carbonyl)amino]benzoate
CID 1247170
N-(cyclohexylmethyl)-6-nitro-2-oxochromene-3-carboxamide
CID 22299683

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of 6-nitro-2-oxo-N-phenylchromene-3-carboxamide (CID 739350) is 6-nitro-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for 6-nitro-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for 6-nitro-2-oxo-N-phenylchromene-3-carboxamide is O=C(Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O.
What is the InChIKey of 6-nitro-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is NDMMIVPXGAPYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O5/c19-15(17-11-4-2-1-3-5-11)13-9-10-8-12(18(21)22)6-7-14(10)23-16(13)20/h1-9H,(H,17,19).
What are the key properties of 6-nitro-2-oxo-N-phenylchromene-3-carboxamide?
6-nitro-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 310.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 739350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).