N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide

C15H13N3O4 — CID 135554639

IUPACN-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
SMILESCc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2)c1O
InChIInChI=1S/C15H13N3O4/c1-10-7-13(18(21)22)8-12(14(10)19)9-16-17-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,17,20)/b16-9-
InChIKeyLROPMGMDPWXAMW-SXGWCWSVSA-N
MW299.29 g/mol
LogP2.37
Rot. Bonds4

About N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide

N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 135554639) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
PubChem CID135554639
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide
SMILESCc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2)c1O
InChIInChI=1S/C15H13N3O4/c1-10-7-13(18(21)22)8-12(14(10)19)9-16-17-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,17,20)/b16-9-
InChIKeyLROPMGMDPWXAMW-SXGWCWSVSA-N
XLogP2.37
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3328921
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3383758
2-chloro-N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 135554740
4-bromo-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4291162
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 136712197
4-acetamido-N-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3630343
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
4-chloro-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzamide
CID 135579203
3,5-dibromo-N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 137173005
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137118711
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3274158

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide (CID 135554639) is N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide is Cc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2)c1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is LROPMGMDPWXAMW-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-10-7-13(18(21)22)8-12(14(10)19)9-16-17-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,17,20)/b16-9-.
What are the key properties of N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide?
N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 299.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 135554639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).