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

C19H15N3O7 — CID 135521465

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc([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)/b20-9+
InChIKeyFMVFIJKXWBXORA-AWQFTUOYSA-N
MW397.34 g/mol
LogP2.24
Rot. Bonds6

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

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 135521465) has the molecular formula C19H15N3O7 and a molecular weight of 397.34 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID135521465
Molecular FormulaC19H15N3O7
Molecular Weight397.34 g/mol
Exact Mass397.09
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc([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)/b20-9+
InChIKeyFMVFIJKXWBXORA-AWQFTUOYSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
CID 6862050
2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide
CID 9619223
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-7-phenylmethoxychromen-2-one
CID 57399736
N'-[(Z)-(4-Hydroxyphenyl)methylidene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135439742
N-[(E)-(3-fluoro-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 136167962
7-hydroxy-4-methyl-8-[5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 136206321
N'-(3-Nitrobenzylidene)-2-(4-propylphenoxy)acetohydrazide
CID 9678529
N'-(2,4-Dihydroxybenzylidene)-2-(4-nitrophenoxy)propanohydrazide
CID 135683322
2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 25149030
N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 136167974
N-[(E)-(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 136167983
(E)-2-cyano-N-[(E)-1-(4,7-dihydroxy-2-oxochromen-3-yl)ethylideneamino]-3-(3-nitrophenyl)prop-2-enamide
CID 155549969

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 135521465) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3O)ccc12.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is FMVFIJKXWBXORA-AWQFTUOYSA-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)/b20-9+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(E)-(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-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 135521465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).