5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole

C17H19BrFN — CID 142175464

IUPAC5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole
SMILESCC/C=C(\C=C/CF)C1CCC(c2ccc(Br)cc2)=N1
InChIInChI=1S/C17H19BrFN/c1-2-4-13(5-3-12-19)16-10-11-17(20-16)14-6-8-15(18)9-7-14/h3-9,16H,2,10-12H2,1H3/b5-3-,13-4+
InChIKeyTVZLDZCYDKCZNY-OHOMROLUSA-N
MW336.25 g/mol
LogP5.26
Rot. Bonds5

About 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole

5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole (PubChem CID 142175464) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole
PubChem CID142175464
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole
SMILESCC/C=C(\C=C/CF)C1CCC(c2ccc(Br)cc2)=N1
InChIInChI=1S/C17H19BrFN/c1-2-4-13(5-3-12-19)16-10-11-17(20-16)14-6-8-15(18)9-7-14/h3-9,16H,2,10-12H2,1H3/b5-3-,13-4+
InChIKeyTVZLDZCYDKCZNY-OHOMROLUSA-N
XLogP5.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole 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

6-(3-Bromophenyl)-2,3,4,5-tetrahydropyridine
CID 127024854
6-(3-Bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
CID 127026746
p-Bromobenzylidene-cyclohexyl-amine
CID 525667
2-(bromomethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 25214294
2-bromo-2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
CID 102322177
(3S)-5-(4-bromophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 139182438
2-(2-fluoropropan-2-yl)-5-phenyl-3,4-dihydro-2H-pyrrole
CID 162408005
N-[1-(4-bromophenyl)-3,3,3-trifluoropropyl]-1,1-diphenylmethanimine
CID 166446424
3-(4-bromophenyl)-2H-azirine
CID 11241008
5-(4-Bromophenyl)-3,4-dihydro-2h-pyrrole
CID 11424611
N-benzyl-1-(4-bromophenyl)ethanimine
CID 12306329
5-[(2-bromophenyl)methyl]-3,4-dihydro-2H-pyrrole
CID 135067592

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole (CID 142175464) is 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole is CC/C=C(\C=C/CF)C1CCC(c2ccc(Br)cc2)=N1.
What is the InChIKey of 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole?
The InChIKey is TVZLDZCYDKCZNY-OHOMROLUSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-2-4-13(5-3-12-19)16-10-11-17(20-16)14-6-8-15(18)9-7-14/h3-9,16H,2,10-12H2,1H3/b5-3-,13-4+.
What are the key properties of 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole?
5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole has a molecular weight of 336.25 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-[(2Z,4E)-1-fluorohepta-2,4-dien-4-yl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 142175464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).