4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide

C14H9BrClFN2O — CID 5339119

IUPAC4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClFN2O/c15-10-6-4-9(5-7-10)14(20)19-18-8-11-12(16)2-1-3-13(11)17/h1-8H,(H,19,20)/b18-8+
InChIKeyVNRFNNCKMWUDKH-QGMBQPNBSA-N
MW355.59 g/mol
LogP4.01
Rot. Bonds3

About 4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide

4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide (PubChem CID 5339119) has the molecular formula C14H9BrClFN2O and a molecular weight of 355.59 g/mol. Its IUPAC name is 4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
PubChem CID5339119
Molecular FormulaC14H9BrClFN2O
Molecular Weight355.59 g/mol
Exact Mass353.96
IUPAC Name4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrClFN2O/c15-10-6-4-9(5-7-10)14(20)19-18-8-11-12(16)2-1-3-13(11)17/h1-8H,(H,19,20)/b18-8+
InChIKeyVNRFNNCKMWUDKH-QGMBQPNBSA-N
XLogP4.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.59
LogP ≤ 54.01
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

1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
4-[(4-bromophenyl)sulfonylamino]-N-[(E)-(2,6-difluorophenyl)methylideneamino]benzamide
CID 42991353
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
CID 137058198
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6907884
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 1484920
4-bromo-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-dimethylpyrazole-5-carboxamide
CID 5433153
N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide
CID 135937131

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide (CID 5339119) is 4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide is O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide?
The InChIKey is VNRFNNCKMWUDKH-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H9BrClFN2O/c15-10-6-4-9(5-7-10)14(20)19-18-8-11-12(16)2-1-3-13(11)17/h1-8H,(H,19,20)/b18-8+.
What are the key properties of 4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide?
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide has a molecular weight of 355.59 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5339119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).