3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

C20H18Cl2N2 — CID 53323535

IUPAC3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESClc1ccc(-c2cn(Cc3cccc(Cl)c3)c3c2CNCC3)cc1
InChIInChI=1S/C20H18Cl2N2/c21-16-6-4-15(5-7-16)19-13-24(20-8-9-23-11-18(19)20)12-14-2-1-3-17(22)10-14/h1-7,10,13,23H,8-9,11-12H2
InChIKeyCFTXZTGBOFLZHR-UHFFFAOYSA-N
MW357.28 g/mol
LogP5.16
Rot. Bonds3

About 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 53323535) has the molecular formula C20H18Cl2N2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID53323535
Molecular FormulaC20H18Cl2N2
Molecular Weight357.28 g/mol
Exact Mass356.08
IUPAC Name3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESClc1ccc(-c2cn(Cc3cccc(Cl)c3)c3c2CNCC3)cc1
InChIInChI=1S/C20H18Cl2N2/c21-16-6-4-15(5-7-16)19-13-24(20-8-9-23-11-18(19)20)12-14-2-1-3-17(22)10-14/h1-7,10,13,23H,8-9,11-12H2
InChIKeyCFTXZTGBOFLZHR-UHFFFAOYSA-N
XLogP5.16
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.28
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 53323535) is 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is Clc1ccc(-c2cn(Cc3cccc(Cl)c3)c3c2CNCC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is CFTXZTGBOFLZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2/c21-16-6-4-15(5-7-16)19-13-24(20-8-9-23-11-18(19)20)12-14-2-1-3-17(22)10-14/h1-7,10,13,23H,8-9,11-12H2.
What are the key properties of 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 357.28 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53323535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).