N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C19H15N3O7 — CID 3847829

IUPACN-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NN=Cc3cc([N+](=O)[O-])ccc3O)ccc12
InChIInChI=1S/C19H15N3O7/c1-11-6-19(25)29-17-8-14(3-4-15(11)17)28-10-18(24)21-20-9-12-7-13(22(26)27)2-5-16(12)23/h2-9,23H,10H2,1H3,(H,21,24)
InChIKeyFMVFIJKXWBXORA-UHFFFAOYSA-N
MW397.34 g/mol
LogP2.24
Rot. Bonds6

About N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 3847829) has the molecular formula C19H15N3O7 and a molecular weight of 397.34 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID3847829
Molecular FormulaC19H15N3O7
Molecular Weight397.34 g/mol
Exact Mass397.09
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NN=Cc3cc([N+](=O)[O-])ccc3O)ccc12
InChIInChI=1S/C19H15N3O7/c1-11-6-19(25)29-17-8-14(3-4-15(11)17)28-10-18(24)21-20-9-12-7-13(22(26)27)2-5-16(12)23/h2-9,23H,10H2,1H3,(H,21,24)
InChIKeyFMVFIJKXWBXORA-UHFFFAOYSA-N
XLogP2.24
TPSA144.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 3847829) is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)NN=Cc3cc([N+](=O)[O-])ccc3O)ccc12.
What is the InChIKey of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is FMVFIJKXWBXORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O7/c1-11-6-19(25)29-17-8-14(3-4-15(11)17)28-10-18(24)21-20-9-12-7-13(22(26)27)2-5-16(12)23/h2-9,23H,10H2,1H3,(H,21,24).
What are the key properties of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 397.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 3847829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).