N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide

C15H13N3O5 — CID 3983517

IUPACN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESCOc1cccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1O
InChIInChI=1S/C15H13N3O5/c1-23-13-7-3-5-11(14(13)19)9-16-17-15(20)10-4-2-6-12(8-10)18(21)22/h2-9,19H,1H3,(H,17,20)
InChIKeyBONQIDHNIFJLAJ-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.07
Rot. Bonds5

About N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide (PubChem CID 3983517) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
PubChem CID3983517
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESCOc1cccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1O
InChIInChI=1S/C15H13N3O5/c1-23-13-7-3-5-11(14(13)19)9-16-17-15(20)10-4-2-6-12(8-10)18(21)22/h2-9,19H,1H3,(H,17,20)
InChIKeyBONQIDHNIFJLAJ-UHFFFAOYSA-N
XLogP2.07
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 5373886
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3949968
(2S)-2-[2-methoxy-6-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenoxy]propanoate
CID 7323578
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
4-(dimethylamino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 135927147
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 110506784
3-nitro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6305635
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 136712197
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-nitrobenzamide
CID 136663059
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 4050443
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137076513

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide (CID 3983517) is N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide is COc1cccc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)c1O.
What is the InChIKey of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide?
The InChIKey is BONQIDHNIFJLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-23-13-7-3-5-11(14(13)19)9-16-17-15(20)10-4-2-6-12(8-10)18(21)22/h2-9,19H,1H3,(H,17,20).
What are the key properties of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide?
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide has a molecular weight of 315.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 3983517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).