4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide

C15H13N3O3 — CID 5335160

IUPAC4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13N3O3/c1-11-5-7-13(8-6-11)15(19)17-16-10-12-3-2-4-14(9-12)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+
InChIKeyCHQGMIODLKNGMK-MHWRWJLKSA-N
MW283.29 g/mol
LogP2.67
Rot. Bonds4

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

4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 5335160) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
PubChem CID5335160
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13N3O3/c1-11-5-7-13(8-6-11)15(19)17-16-10-12-3-2-4-14(9-12)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+
InChIKeyCHQGMIODLKNGMK-MHWRWJLKSA-N
XLogP2.67
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide (CID 5335160) is 4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide is Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is CHQGMIODLKNGMK-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-11-5-7-13(8-6-11)15(19)17-16-10-12-3-2-4-14(9-12)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+.
What are the key properties of 4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 283.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5335160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).