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

C14H12N4O4 — CID 136789360

IUPAC4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H12N4O4/c15-11-4-2-10(3-5-11)14(20)17-16-8-9-1-6-13(19)12(7-9)18(21)22/h1-8,19H,15H2,(H,17,20)/b16-8-
InChIKeyMWCFHLNHWGNNPF-PXNMLYILSA-N
MW300.27 g/mol
LogP1.65
Rot. Bonds4

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

4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 136789360) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID136789360
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H12N4O4/c15-11-4-2-10(3-5-11)14(20)17-16-8-9-1-6-13(19)12(7-9)18(21)22/h1-8,19H,15H2,(H,17,20)/b16-8-
InChIKeyMWCFHLNHWGNNPF-PXNMLYILSA-N
XLogP1.65
TPSA130.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135673739
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 135577282
4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136700737
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
3-bromo-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135579599
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3117013
4-chloro-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
CID 51712109
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5172323
1,2-bis[(4-hydroxy-3-nitrophenyl)methylideneamino]guanidine
CID 137255813
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
methyl N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]carbamate
CID 135730415

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide (CID 136789360) is 4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is MWCFHLNHWGNNPF-PXNMLYILSA-N. The full InChI is InChI=1S/C14H12N4O4/c15-11-4-2-10(3-5-11)14(20)17-16-8-9-1-6-13(19)12(7-9)18(21)22/h1-8,19H,15H2,(H,17,20)/b16-8-.
What are the key properties of 4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide?
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 300.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 136789360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).