2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole

C17H15Cl2N — CID 58915277

IUPAC2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1cc(Cl)ccc1C1CCC(c2ccccc2Cl)=N1
InChIInChI=1S/C17H15Cl2N/c1-11-10-12(18)6-7-13(11)16-8-9-17(20-16)14-4-2-3-5-15(14)19/h2-7,10,16H,8-9H2,1H3
InChIKeyCSLYSUZPWWNLAN-UHFFFAOYSA-N
MW304.22 g/mol
LogP5.63
Rot. Bonds2

About 2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole

2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915277) has the molecular formula C17H15Cl2N and a molecular weight of 304.22 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915277
Molecular FormulaC17H15Cl2N
Molecular Weight304.22 g/mol
Exact Mass303.06
IUPAC Name2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1cc(Cl)ccc1C1CCC(c2ccccc2Cl)=N1
InChIInChI=1S/C17H15Cl2N/c1-11-10-12(18)6-7-13(11)16-8-9-17(20-16)14-4-2-3-5-15(14)19/h2-7,10,16H,8-9H2,1H3
InChIKeyCSLYSUZPWWNLAN-UHFFFAOYSA-N
XLogP5.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.22
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole (CID 58915277) is 2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole is Cc1cc(Cl)ccc1C1CCC(c2ccccc2Cl)=N1.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is CSLYSUZPWWNLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N/c1-11-10-12(18)6-7-13(11)16-8-9-17(20-16)14-4-2-3-5-15(14)19/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole?
2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 304.22 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-5-(2-chlorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).