(2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole

C16H14ClN — CID 139079674

IUPAC(2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
SMILESClc1cccc(C2=N[C@H](c3ccccc3)CC2)c1
InChIInChI=1S/C16H14ClN/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-8,11,15H,9-10H2/t15-/m0/s1
InChIKeySTQTUOHKLFCZMQ-HNNXBMFYSA-N
MW255.75 g/mol
LogP4.66
Rot. Bonds2

About (2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole

(2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole (PubChem CID 139079674) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is (2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
PubChem CID139079674
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name(2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
SMILESClc1cccc(C2=N[C@H](c3ccccc3)CC2)c1
InChIInChI=1S/C16H14ClN/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-8,11,15H,9-10H2/t15-/m0/s1
InChIKeySTQTUOHKLFCZMQ-HNNXBMFYSA-N
XLogP4.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
CID 58915248
2-phenyl-5-[(2R)-2-phenyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-pyrrole
CID 136734361
5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
CID 18335732
5-(3-chlorophenyl)-2-[(E)-pent-1-en-4-ynyl]-3,4-dihydro-2H-pyrrole
CID 142175416
(4S,4aR,8aR)-2-(3-chlorophenyl)-4-phenyl-4a,5,6,7,8,8a-hexahydro-4H-1,3-benzoxazine
CID 15717131
5-(3-chlorophenyl)-3,4-dihydro-2H-pyrrole
CID 15496703
2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole
CID 58915244
5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
4-(3-chlorophenyl)-5-cyclopropyl-3-phenyl-1H-pyrazole
CID 141270020
5-methylsulfanyl-2-phenyl-3,4-dihydro-2H-pyrrole
CID 86171847
2-(3-chlorophenyl)-3H-pyrrole
CID 157390265

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole (CID 139079674) is (2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole is Clc1cccc(C2=N[C@H](c3ccccc3)CC2)c1.
What is the InChIKey of (2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is STQTUOHKLFCZMQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14ClN/c17-14-8-4-7-13(11-14)16-10-9-15(18-16)12-5-2-1-3-6-12/h1-8,11,15H,9-10H2/t15-/m0/s1.
What are the key properties of (2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole?
(2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 255.75 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(3-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 139079674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).