N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide

C21H16N4O3 — CID 6611756

IUPACN-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide
SMILESO=C(NN=C(/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N4O3/c26-21(18-11-5-2-6-12-18)24-23-20(17-9-3-1-4-10-17)22-15-16-8-7-13-19(14-16)25(27)28/h1-15H,(H,24,26)/b22-15+,23-20?
InChIKeyHWORBVVIMBRZFM-JMMVNTNMSA-N
MW372.38 g/mol
LogP3.81
Rot. Bonds5

About N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide

N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide (PubChem CID 6611756) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide
PubChem CID6611756
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC NameN-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide
SMILESO=C(NN=C(/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N4O3/c26-21(18-11-5-2-6-12-18)24-23-20(17-9-3-1-4-10-17)22-15-16-8-7-13-19(14-16)25(27)28/h1-15H,(H,24,26)/b22-15+,23-20?
InChIKeyHWORBVVIMBRZFM-JMMVNTNMSA-N
XLogP3.81
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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
N-[(Z)-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 26368034
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
CID 4033932
N-[(Z)-1-(3-nitrophenyl)butylideneamino]benzamide
CID 9058741
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 129441465
6-methyl-N-[[3-(3-nitrophenyl)-1-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 4996641
N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
CID 6538181
N-[(3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 947524
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127

Frequently Asked Questions

What is the IUPAC name of N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide?
The IUPAC name of N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide (CID 6611756) is N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide.
What is the SMILES notation for N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide?
The canonical SMILES for N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide is O=C(NN=C(/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide?
The InChIKey is HWORBVVIMBRZFM-JMMVNTNMSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-21(18-11-5-2-6-12-18)24-23-20(17-9-3-1-4-10-17)22-15-16-8-7-13-19(14-16)25(27)28/h1-15H,(H,24,26)/b22-15+,23-20?.
What are the key properties of N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide?
N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide has a molecular weight of 372.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[(3-nitrophenyl)methylideneamino]-phenylmethylidene]amino]benzamide is sourced from PubChem (CID 6611756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).