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

C14H12N4O3 — CID 5407743

IUPAC2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O3/c15-13-4-2-1-3-12(13)14(19)17-16-9-10-5-7-11(8-6-10)18(20)21/h1-9H,15H2,(H,17,19)/b16-9-
InChIKeyAQGHEAFLSZVGEJ-SXGWCWSVSA-N
MW284.28 g/mol
LogP1.94
Rot. Bonds4

About 2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide

2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide (PubChem CID 5407743) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
PubChem CID5407743
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O3/c15-13-4-2-1-3-12(13)14(19)17-16-9-10-5-7-11(8-6-10)18(20)21/h1-9H,15H2,(H,17,19)/b16-9-
InChIKeyAQGHEAFLSZVGEJ-SXGWCWSVSA-N
XLogP1.94
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
5-amino-N-[(4-nitrophenyl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 2813638
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
2-bromo-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245239
2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 796032
3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 5331629
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856
2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 136926351
[4-[[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate
CID 5233462
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 6009778
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
2-amino-N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 75123915

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide (CID 5407743) is 2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is Nc1ccccc1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide?
The InChIKey is AQGHEAFLSZVGEJ-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H12N4O3/c15-13-4-2-1-3-12(13)14(19)17-16-9-10-5-7-11(8-6-10)18(20)21/h1-9H,15H2,(H,17,19)/b16-9-.
What are the key properties of 2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide?
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide has a molecular weight of 284.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5407743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).