1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole

C17H15ClFN — CID 141297301

IUPAC1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole
SMILESFc1cc(C2=CCN(Cc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C17H15ClFN/c18-16-7-6-14(10-17(16)19)15-8-9-20(12-15)11-13-4-2-1-3-5-13/h1-8,10H,9,11-12H2
InChIKeyPOIRYLNICNNWEK-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.38
Rot. Bonds3

About 1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole

1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole (PubChem CID 141297301) has the molecular formula C17H15ClFN and a molecular weight of 287.77 g/mol. Its IUPAC name is 1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole
PubChem CID141297301
Molecular FormulaC17H15ClFN
Molecular Weight287.77 g/mol
Exact Mass287.09
IUPAC Name1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole
SMILESFc1cc(C2=CCN(Cc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C17H15ClFN/c18-16-7-6-14(10-17(16)19)15-8-9-20(12-15)11-13-4-2-1-3-5-13/h1-8,10H,9,11-12H2
InChIKeyPOIRYLNICNNWEK-UHFFFAOYSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorcyclizine
CID 2710
Pyrrobutamine
CID 8669
1-[(2E)-4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine
CID 5284614
Chlorcyclizine, (R)-
CID 688438
Benzyl-(4-chloro-benzyl)-amine
CID 816344
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419
Chlorcyclizine, (S)-
CID 688437
4-(4-chloro-3-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 9882047
4-(4-Chloro-phenyl)-1-(4-phenyl-butyl)-1,2,3,6-tetrahydro-pyridine
CID 18790204
{3-[Benzyl(methyl)amino]propyl}[(4-chlorophenyl)methyl]amine
CID 29048070
Pyrrolidine, 2-(4-chlorophenyl)-1-methyl-
CID 44387149
(1-(4-chloro-3-fluorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53322409

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole?
The IUPAC name of 1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole (CID 141297301) is 1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole is Fc1cc(C2=CCN(Cc3ccccc3)C2)ccc1Cl.
What is the InChIKey of 1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole?
The InChIKey is POIRYLNICNNWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN/c18-16-7-6-14(10-17(16)19)15-8-9-20(12-15)11-13-4-2-1-3-5-13/h1-8,10H,9,11-12H2.
What are the key properties of 1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole?
1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole has a molecular weight of 287.77 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chloro-3-fluorophenyl)-2,5-dihydropyrrole is sourced from PubChem (CID 141297301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).