4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide

C14H11N3O4 — CID 5403564

IUPAC4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1
InChIInChI=1S/C14H11N3O4/c18-13-6-4-11(5-7-13)14(19)16-15-9-10-2-1-3-12(8-10)17(20)21/h1-9,18H,(H,16,19)/b15-9-
InChIKeyQVEDXOJKSBOJFM-DHDCSXOGSA-N
MW285.26 g/mol
LogP2.06
Rot. Bonds4

About 4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide

4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 5403564) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
PubChem CID5403564
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1
InChIInChI=1S/C14H11N3O4/c18-13-6-4-11(5-7-13)14(19)16-15-9-10-2-1-3-12(8-10)17(20)21/h1-9,18H,(H,16,19)/b15-9-
InChIKeyQVEDXOJKSBOJFM-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': '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)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
N-[(3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 947524
N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
CID 4033932
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
N-[(Z)-(3-nitrophenyl)methylideneamino]-1,4-dioxo-2,3-dihydrophthalazine-6-carboxamide
CID 94836291
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453
4-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 137028436
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide (CID 5403564) is 4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is QVEDXOJKSBOJFM-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-13-6-4-11(5-7-13)14(19)16-15-9-10-2-1-3-12(8-10)17(20)21/h1-9,18H,(H,16,19)/b15-9-.
What are the key properties of 4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide 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 4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5403564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).