2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide

C15H14N4O3 — CID 796032

IUPAC2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O3/c1-10(11-6-8-12(9-7-11)19(21)22)17-18-15(20)13-4-2-3-5-14(13)16/h2-9H,16H2,1H3,(H,18,20)
InChIKeyDBTFWHSDQWAYNK-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.33
Rot. Bonds4

About 2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide

2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide (PubChem CID 796032) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
PubChem CID796032
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O3/c1-10(11-6-8-12(9-7-11)19(21)22)17-18-15(20)13-4-2-3-5-14(13)16/h2-9H,16H2,1H3,(H,18,20)
InChIKeyDBTFWHSDQWAYNK-UHFFFAOYSA-N
XLogP2.33
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.33
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

N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 21370947
2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 689617
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 7183815
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide
CID 760185
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide (CID 796032) is 2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1N)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is DBTFWHSDQWAYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-10(11-6-8-12(9-7-11)19(21)22)17-18-15(20)13-4-2-3-5-14(13)16/h2-9H,16H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 298.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 796032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).