2-[(4-nitrophenyl)methylideneamino]benzamide

C14H11N3O3 — CID 910209

IUPAC2-[(4-nitrophenyl)methylideneamino]benzamide
SMILESNC(=O)c1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O3/c15-14(18)12-3-1-2-4-13(12)16-9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H2,15,18)/b16-9+
InChIKeyBIUPZGCVJXWGRJ-CXUHLZMHSA-N
MW269.26 g/mol
LogP2.44
Rot. Bonds4

About 2-[(4-nitrophenyl)methylideneamino]benzamide

2-[(4-nitrophenyl)methylideneamino]benzamide (PubChem CID 910209) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methylideneamino]benzamide
PubChem CID910209
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-[(4-nitrophenyl)methylideneamino]benzamide
SMILESNC(=O)c1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11N3O3/c15-14(18)12-3-1-2-4-13(12)16-9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H2,15,18)/b16-9+
InChIKeyBIUPZGCVJXWGRJ-CXUHLZMHSA-N
XLogP2.44
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(benzylideneamino)benzamide
CID 794805
2-[(4-fluorophenyl)methylideneamino]benzamide
CID 932011
2-[(2-nitrophenyl)methylideneamino]benzamide
CID 794642
2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide
CID 708103
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
2-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 18772896
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 5066193

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(4-nitrophenyl)methylideneamino]benzamide (CID 910209) is 2-[(4-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(4-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(4-nitrophenyl)methylideneamino]benzamide is NC(=O)c1ccccc1/N=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(4-nitrophenyl)methylideneamino]benzamide?
The InChIKey is BIUPZGCVJXWGRJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-14(18)12-3-1-2-4-13(12)16-9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H2,15,18)/b16-9+.
What are the key properties of 2-[(4-nitrophenyl)methylideneamino]benzamide?
2-[(4-nitrophenyl)methylideneamino]benzamide has a molecular weight of 269.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 910209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).