N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide

C14H11N3O4 — CID 136912782

IUPACN-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1ccccc1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H11N3O4/c18-13-7-2-1-4-11(13)9-15-16-14(19)10-5-3-6-12(8-10)17(20)21/h1-9,18H,(H,16,19)/b15-9-
InChIKeyRMHSVTCXLRMIRJ-DHDCSXOGSA-N
MW285.26 g/mol
LogP2.06
Rot. Bonds4

About N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide (PubChem CID 136912782) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
PubChem CID136912782
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1ccccc1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H11N3O4/c18-13-7-2-1-4-11(13)9-15-16-14(19)10-5-3-6-12(8-10)17(20)21/h1-9,18H,(H,16,19)/b15-9-
InChIKeyRMHSVTCXLRMIRJ-DHDCSXOGSA-N
XLogP2.06
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.06
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-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137122752
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137058209
3-nitro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6305635
N-[(2-hydroxyphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 4278575
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-nitrobenzamide
CID 136663059
4-chloro-N-[(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3405547
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136712211
3-nitro-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5405168

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide (CID 136912782) is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide is O=C(N/N=C\c1ccccc1O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The InChIKey is RMHSVTCXLRMIRJ-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-13-7-2-1-4-11(13)9-15-16-14(19)10-5-3-6-12(8-10)17(20)21/h1-9,18H,(H,16,19)/b15-9-.
What are the key properties of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide?
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide has a molecular weight of 285.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 136912782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).