N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide

C16H14BrFN2O3 — CID 9016566

IUPACN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C16H14BrFN2O3/c1-22-14-7-11(13(17)8-15(14)23-2)9-19-20-16(21)10-3-5-12(18)6-4-10/h3-9H,1-2H3,(H,20,21)/b19-9-
InChIKeyPGSMPQMHRNLFOW-OCKHKDLRSA-N
MW381.20 g/mol
LogP3.37
Rot. Bonds5

About N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide

N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide (PubChem CID 9016566) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
PubChem CID9016566
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC NameN-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C16H14BrFN2O3/c1-22-14-7-11(13(17)8-15(14)23-2)9-19-20-16(21)10-3-5-12(18)6-4-10/h3-9H,1-2H3,(H,20,21)/b19-9-
InChIKeyPGSMPQMHRNLFOW-OCKHKDLRSA-N
XLogP3.37
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 9060329
methyl 2-[5-bromo-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126195572
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 6900272
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
CID 6737092
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
4-fluoro-N-[2-oxo-2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3714352
N-[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 137077195

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide (CID 9016566) is N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide is COc1cc(Br)c(/C=N\NC(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
The InChIKey is PGSMPQMHRNLFOW-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c1-22-14-7-11(13(17)8-15(14)23-2)9-19-20-16(21)10-3-5-12(18)6-4-10/h3-9H,1-2H3,(H,20,21)/b19-9-.
What are the key properties of N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide?
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide has a molecular weight of 381.20 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 9016566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).