2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline

C20H17N3O3 — CID 6132295

IUPAC2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1ccccc1N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H17N3O3/c24-23(25)20-12-5-4-11-19(20)22-21-14-17-9-6-10-18(13-17)26-15-16-7-2-1-3-8-16/h1-14,22H,15H2/b21-14-
InChIKeyIMDOWEUNGGWBKP-STZFKDTASA-N
MW347.37 g/mol
LogP4.62
Rot. Bonds7

About 2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline

2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline (PubChem CID 6132295) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
PubChem CID6132295
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
SMILESO=[N+]([O-])c1ccccc1N/N=C\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C20H17N3O3/c24-23(25)20-12-5-4-11-19(20)22-21-14-17-9-6-10-18(13-17)26-15-16-7-2-1-3-8-16/h1-14,22H,15H2/b21-14-
InChIKeyIMDOWEUNGGWBKP-STZFKDTASA-N
XLogP4.62
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitroaniline
CID 6186932
N-(2-methoxyphenyl)-5-nitro-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 3373786
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-nitroaniline
CID 4567165
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
CID 126078187
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline
CID 6131807
N-(2-nitrophenyl)-3-phenylmethoxybenzamide
CID 23854961
N-[[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
CID 2851090
2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline
CID 4643919
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline?
The IUPAC name of 2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline (CID 6132295) is 2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline is O=[N+]([O-])c1ccccc1N/N=C\c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline?
The InChIKey is IMDOWEUNGGWBKP-STZFKDTASA-N. The full InChI is InChI=1S/C20H17N3O3/c24-23(25)20-12-5-4-11-19(20)22-21-14-17-9-6-10-18(13-17)26-15-16-7-2-1-3-8-16/h1-14,22H,15H2/b21-14-.
What are the key properties of 2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline?
2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline has a molecular weight of 347.37 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 6132295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).