2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

C18H13N3O6 — CID 25149030

IUPAC2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(Cc1cc(=O)oc2cc(O)ccc12)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O6/c22-14-4-5-15-12(8-18(24)27-16(15)9-14)7-17(23)20-19-10-11-2-1-3-13(6-11)21(25)26/h1-6,8-10,22H,7H2,(H,20,23)/b19-10+
InChIKeyHCPYETPUJPYJPW-VXLYETTFSA-N
MW367.32 g/mol
LogP2.10
Rot. Bonds5

About 2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 25149030) has the molecular formula C18H13N3O6 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID25149030
Molecular FormulaC18H13N3O6
Molecular Weight367.32 g/mol
Exact Mass367.08
IUPAC Name2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(Cc1cc(=O)oc2cc(O)ccc12)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13N3O6/c22-14-4-5-15-12(8-18(24)27-16(15)9-14)7-17(23)20-19-10-11-2-1-3-13(6-11)21(25)26/h1-6,8-10,22H,7H2,(H,20,23)/b19-10+
InChIKeyHCPYETPUJPYJPW-VXLYETTFSA-N
XLogP2.10
TPSA135.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

4-{(E)-[(4-hydroxybenzoyl)hydrazono]methyl}-2-nitrophenyl benzoate
CID 9552269
4-Methoxy-benzoic acid 4-{[2-(4-nitro-phenyl)-acetyl]-hydrazonomethyl}-phenyl ester
CID 9593799
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetohydrazide
CID 135521465
N'-[(E)-(4-hydroxy-2-methoxyphenyl)methylidene]-4-nitrobenzohydrazide
CID 135420197
N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide
CID 5357531
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
7-hydroxy-4-methyl-8-[5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 136206321
(E)-2-cyano-N-[(E)-1-(4,7-dihydroxy-2-oxochromen-3-yl)ethylideneamino]-3-(2-nitrophenyl)prop-2-enamide
CID 155541471
(E)-2-cyano-N-[(E)-1-(4,7-dihydroxy-2-oxochromen-3-yl)ethylideneamino]-3-(4-nitrophenyl)prop-2-enamide
CID 155547364
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 136062117
2-(6,7-dimethyl-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 25148854

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide (CID 25149030) is 2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide is O=C(Cc1cc(=O)oc2cc(O)ccc12)N/N=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is HCPYETPUJPYJPW-VXLYETTFSA-N. The full InChI is InChI=1S/C18H13N3O6/c22-14-4-5-15-12(8-18(24)27-16(15)9-14)7-17(23)20-19-10-11-2-1-3-13(6-11)21(25)26/h1-6,8-10,22H,7H2,(H,20,23)/b19-10+.
What are the key properties of 2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 367.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-2-oxochromen-4-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 25149030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).