N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide

C15H13N3O4 — CID 3317117

IUPACN-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)NN=Cc2ccc(O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O4/c1-10-2-5-12(8-14(10)18(21)22)15(20)17-16-9-11-3-6-13(19)7-4-11/h2-9,19H,1H3,(H,17,20)
InChIKeyLATKYHPVJFPMSR-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.37
Rot. Bonds4

About N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide

N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide (PubChem CID 3317117) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
PubChem CID3317117
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)NN=Cc2ccc(O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O4/c1-10-2-5-12(8-14(10)18(21)22)15(20)17-16-9-11-3-6-13(19)7-4-11/h2-9,19H,1H3,(H,17,20)
InChIKeyLATKYHPVJFPMSR-UHFFFAOYSA-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_B(215)', '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-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6273667
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-methyl-3-nitrobenzamide
CID 4064288
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6009398
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6082995
4-methyl-N-(2-methylpropylideneamino)-3-nitrobenzamide
CID 5112542
3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9174858
N-[(Z)-(2-bromophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 94847876
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 135716656
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 155679940

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide (CID 3317117) is N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)NN=Cc2ccc(O)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
The InChIKey is LATKYHPVJFPMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-10-2-5-12(8-14(10)18(21)22)15(20)17-16-9-11-3-6-13(19)7-4-11/h2-9,19H,1H3,(H,17,20).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide 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-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 3317117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).