N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride

C18H16BrClFN — CID 146259735

IUPACN-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride
SMILESC=C(C)c1cc(Br)ccc1/N=C(\Cl)CCc1ccc(F)cc1
InChIInChI=1S/C18H16BrClFN/c1-12(2)16-11-14(19)6-9-17(16)22-18(20)10-5-13-3-7-15(21)8-4-13/h3-4,6-9,11H,1,5,10H2,2H3/b22-18-
InChIKeyHLXXQTHJNBBDAM-PYCFMQQDSA-N
MW380.69 g/mol
LogP6.52
Rot. Bonds5

About N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride

N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride (PubChem CID 146259735) has the molecular formula C18H16BrClFN and a molecular weight of 380.69 g/mol. Its IUPAC name is N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride.

Molecular Properties

Compound NameN-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride
PubChem CID146259735
Molecular FormulaC18H16BrClFN
Molecular Weight380.69 g/mol
Exact Mass379.01
IUPAC NameN-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride
SMILESC=C(C)c1cc(Br)ccc1/N=C(\Cl)CCc1ccc(F)cc1
InChIInChI=1S/C18H16BrClFN/c1-12(2)16-11-14(19)6-9-17(16)22-18(20)10-5-13-3-7-15(21)8-4-13/h3-4,6-9,11H,1,5,10H2,2H3/b22-18-
InChIKeyHLXXQTHJNBBDAM-PYCFMQQDSA-N
XLogP6.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.69
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride 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-(4-bromo-2-methylphenyl)-2,2,2-trifluoro-1-(p-tolyl)ethan-1-imine
CID 155490362
N-(4-bromophenyl)-1-(4-fluorophenyl)ethanimine
CID 11185429
N-(4-bromophenyl)-4-(trifluoromethyl)benzenecarboximidoyl chloride
CID 57897968
N-(4-bromo-phenyl)-2-fluoro-benzimidoyl chloride
CID 86241240
(4-bromo-phenyl)-[1-(2,6-difluoro-phenyl)eth-(E)-ylidene]-amine
CID 87246968
N-(4-bromophenyl)-2-(2-fluorophenyl)-2,4-dimethylhexan-3-imine
CID 91179385
8-Bromo-2-chloro-3-(chloromethyl)-9-fluoro-4-methyl-5,6-dihydro-1-benzazocine
CID 91538075
N-(4-bromo-5-fluoro-2-methylphenyl)-5-methyloctan-4-imine
CID 126554917
N-(4-bromo-5-fluoro-2-methylphenyl)octan-4-imine
CID 126555059
N-(4-bromo-5-fluoro-2-methylphenyl)-5-[2-(2-chloropropyl)phenyl]-3-methylpentan-2-imine
CID 126556441
6-bromo-4-fluoro-1H-carbazole
CID 150142439
6-bromo-3-fluoro-1-methyl-1H-carbazole
CID 150527151

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride?
The IUPAC name of N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride (CID 146259735) is N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride.
What is the SMILES notation for N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride?
The canonical SMILES for N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride is C=C(C)c1cc(Br)ccc1/N=C(\Cl)CCc1ccc(F)cc1.
What is the InChIKey of N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride?
The InChIKey is HLXXQTHJNBBDAM-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H16BrClFN/c1-12(2)16-11-14(19)6-9-17(16)22-18(20)10-5-13-3-7-15(21)8-4-13/h3-4,6-9,11H,1,5,10H2,2H3/b22-18-.
What are the key properties of N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride?
N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride has a molecular weight of 380.69 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-prop-1-en-2-ylphenyl)-3-(4-fluorophenyl)propanimidoyl chloride is sourced from PubChem (CID 146259735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).