N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide

C20H15N3O3 — CID 6897881

IUPACN-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15N3O3/c24-20(22-21-14-15-5-4-8-19(13-15)23(25)26)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-14H,(H,22,24)/b21-14+
InChIKeyOKGLCWUXDWLGIE-KGENOOAVSA-N
MW345.36 g/mol
LogP4.03
Rot. Bonds5

About N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide

N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 6897881) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
PubChem CID6897881
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
SMILESO=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15N3O3/c24-20(22-21-14-15-5-4-8-19(13-15)23(25)26)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-14H,(H,22,24)/b21-14+
InChIKeyOKGLCWUXDWLGIE-KGENOOAVSA-N
XLogP4.03
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.03
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

4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
N-[(3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 947524
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
4-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 137028436
N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide
CID 75306202
N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
CID 4033932
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide
CID 75306203
N-[(Z)-(3-nitrophenyl)methylideneamino]-1,4-dioxo-2,3-dihydrophthalazine-6-carboxamide
CID 94836291
N-[(Z)-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 26368034
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide (CID 6897881) is N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide is O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is OKGLCWUXDWLGIE-KGENOOAVSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-20(22-21-14-15-5-4-8-19(13-15)23(25)26)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-14H,(H,22,24)/b21-14+.
What are the key properties of N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide?
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 345.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 6897881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).