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

C14H10BrFN2O — CID 6298230

IUPACN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C14H10BrFN2O/c15-12-8-10(6-7-13(12)16)9-17-18-14(19)11-4-2-1-3-5-11/h1-9H,(H,18,19)/b17-9-
InChIKeyIYTVFASKYQXAJZ-MFOYZWKCSA-N
MW321.15 g/mol
LogP3.35
Rot. Bonds3

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

N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide (PubChem CID 6298230) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
PubChem CID6298230
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC NameN-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(F)c(Br)c1)c1ccccc1
InChIInChI=1S/C14H10BrFN2O/c15-12-8-10(6-7-13(12)16)9-17-18-14(19)11-4-2-1-3-5-11/h1-9H,(H,18,19)/b17-9-
InChIKeyIYTVFASKYQXAJZ-MFOYZWKCSA-N
XLogP3.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.35
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

2-bromo-N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide
CID 7832175
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
CID 9214902
N,N'-bis[(3-bromo-4-fluorophenyl)methylideneamino]propanediamide
CID 4625442
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
methyl N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]carbamate
CID 6174064
N'-[(3-bromo-4-fluorophenyl)methylideneamino]oxamide
CID 4081969
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
1-N-[(3-fluoro-4-phenylphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 75036859
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide (CID 6298230) is N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(F)c(Br)c1)c1ccccc1.
What is the InChIKey of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide?
The InChIKey is IYTVFASKYQXAJZ-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-12-8-10(6-7-13(12)16)9-17-18-14(19)11-4-2-1-3-5-11/h1-9H,(H,18,19)/b17-9-.
What are the key properties of N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide?
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide has a molecular weight of 321.15 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6298230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).