2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide

C14H9Br2FN2O — CID 7832175

IUPAC2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(F)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C14H9Br2FN2O/c15-11-4-2-1-3-10(11)14(20)19-18-8-9-5-6-13(17)12(16)7-9/h1-8H,(H,19,20)/b18-8-
InChIKeyZSONJZAPLZNGLR-LSCVHKIXSA-N
MW400.05 g/mol
LogP4.11
Rot. Bonds3

About 2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide

2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide (PubChem CID 7832175) has the molecular formula C14H9Br2FN2O and a molecular weight of 400.05 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
PubChem CID7832175
Molecular FormulaC14H9Br2FN2O
Molecular Weight400.05 g/mol
Exact Mass397.91
IUPAC Name2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(F)c(Br)c1)c1ccccc1Br
InChIInChI=1S/C14H9Br2FN2O/c15-11-4-2-1-3-10(11)14(20)19-18-8-9-5-6-13(17)12(16)7-9/h1-8H,(H,19,20)/b18-8-
InChIKeyZSONJZAPLZNGLR-LSCVHKIXSA-N
XLogP4.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.05
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 6298230
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
2-bromo-N-[(3-hydroxyphenyl)methylideneamino]benzamide
CID 2690759
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
N,N'-bis[(3-bromo-4-fluorophenyl)methylideneamino]propanediamide
CID 4625442
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide
CID 6047566
4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
CID 168908017
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-bromobenzamide
CID 3358206
N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide
CID 4081969
methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
CID 6174064
5-[[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 1274624

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide (CID 7832175) is 2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(F)c(Br)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide?
The InChIKey is ZSONJZAPLZNGLR-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H9Br2FN2O/c15-11-4-2-1-3-10(11)14(20)19-18-8-9-5-6-13(17)12(16)7-9/h1-8H,(H,19,20)/b18-8-.
What are the key properties of 2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide?
2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide has a molecular weight of 400.05 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 7832175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).