N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide

C15H12N4O5 — CID 3817140

IUPACN'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1
InChIInChI=1S/C15H12N4O5/c20-13-7-6-12(19(23)24)8-10(13)9-16-18-15(22)14(21)17-11-4-2-1-3-5-11/h1-9,20H,(H,17,21)(H,18,22)
InChIKeyLNPAMUVLILUMQK-UHFFFAOYSA-N
MW328.28 g/mol
LogP1.39
Rot. Bonds4

About N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide

N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide (PubChem CID 3817140) has the molecular formula C15H12N4O5 and a molecular weight of 328.28 g/mol. Its IUPAC name is N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
PubChem CID3817140
Molecular FormulaC15H12N4O5
Molecular Weight328.28 g/mol
Exact Mass328.08
IUPAC NameN'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1
InChIInChI=1S/C15H12N4O5/c20-13-7-6-12(19(23)24)8-10(13)9-16-18-15(22)14(21)17-11-4-2-1-3-5-11/h1-9,20H,(H,17,21)(H,18,22)
InChIKeyLNPAMUVLILUMQK-UHFFFAOYSA-N
XLogP1.39
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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

N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135683234
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
CID 4148017
N'-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
CID 136919379
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3694397
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 135775232
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylethanethioamide
CID 137061565
N-(4-chloro-3-nitrophenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136863890

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide?
The IUPAC name of N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide (CID 3817140) is N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide.
What is the SMILES notation for N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide?
The canonical SMILES for N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccccc1.
What is the InChIKey of N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide?
The InChIKey is LNPAMUVLILUMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5/c20-13-7-6-12(19(23)24)8-10(13)9-16-18-15(22)14(21)17-11-4-2-1-3-5-11/h1-9,20H,(H,17,21)(H,18,22).
What are the key properties of N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide?
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide has a molecular weight of 328.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide is sourced from PubChem (CID 3817140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).