3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide

C15H12BrN3O3 — CID 7183815

IUPAC3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12BrN3O3/c1-10(11-5-7-14(8-6-11)19(21)22)17-18-15(20)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,18,20)/b17-10+
InChIKeyJXTAUBBHRUZSLZ-LICLKQGHSA-N
MW362.18 g/mol
LogP3.51
Rot. Bonds4

About 3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide

3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide (PubChem CID 7183815) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
PubChem CID7183815
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC Name3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12BrN3O3/c1-10(11-5-7-14(8-6-11)19(21)22)17-18-15(20)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,18,20)/b17-10+
InChIKeyJXTAUBBHRUZSLZ-LICLKQGHSA-N
XLogP3.51
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 53.51
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 3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide (CID 7183815) is 3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is JXTAUBBHRUZSLZ-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c1-10(11-5-7-14(8-6-11)19(21)22)17-18-15(20)12-3-2-4-13(16)9-12/h2-9H,1H3,(H,18,20)/b17-10+.
What are the key properties of 3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide?
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 362.18 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 7183815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).