N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide

C17H17N3O5 — CID 94847959

IUPACN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide
SMILESCOc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2C)c1OC
InChIInChI=1S/C17H17N3O5/c1-11-13(7-5-8-14(11)20(22)23)17(21)19-18-10-12-6-4-9-15(24-2)16(12)25-3/h4-10H,1-3H3,(H,19,21)/b18-10-
InChIKeyKGDVADALVNAXKE-ZDLGFXPLSA-N
MW343.34 g/mol
LogP2.68
Rot. Bonds6

About N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide

N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide (PubChem CID 94847959) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide
PubChem CID94847959
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide
SMILESCOc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2C)c1OC
InChIInChI=1S/C17H17N3O5/c1-11-13(7-5-8-14(11)20(22)23)17(21)19-18-10-12-6-4-9-15(24-2)16(12)25-3/h4-10H,1-3H3,(H,19,21)/b18-10-
InChIKeyKGDVADALVNAXKE-ZDLGFXPLSA-N
XLogP2.68
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 126054390
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097
3,4,5-trimethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 6875972
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 110505855
N-[(2,3-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760406
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 5370784
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395056
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 6117441

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide (CID 94847959) is N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide is COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2C)c1OC.
What is the InChIKey of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide?
The InChIKey is KGDVADALVNAXKE-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11-13(7-5-8-14(11)20(22)23)17(21)19-18-10-12-6-4-9-15(24-2)16(12)25-3/h4-10H,1-3H3,(H,19,21)/b18-10-.
What are the key properties of N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide?
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide has a molecular weight of 343.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 94847959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).