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

C18H18ClN — CID 58915244

IUPAC2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1ccccc1C1=NC(c2ccc(Cl)cc2C)CC1
InChIInChI=1S/C18H18ClN/c1-12-5-3-4-6-15(12)17-9-10-18(20-17)16-8-7-14(19)11-13(16)2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyNDNCILGITKFQFI-UHFFFAOYSA-N
MW283.80 g/mol
LogP5.28
Rot. Bonds2

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

2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915244) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915244
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole
SMILESCc1ccccc1C1=NC(c2ccc(Cl)cc2C)CC1
InChIInChI=1S/C18H18ClN/c1-12-5-3-4-6-15(12)17-9-10-18(20-17)16-8-7-14(19)11-13(16)2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyNDNCILGITKFQFI-UHFFFAOYSA-N
XLogP5.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.80
LogP ≤ 55.28
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-methylphenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole (CID 58915244) is 2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole is Cc1ccccc1C1=NC(c2ccc(Cl)cc2C)CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is NDNCILGITKFQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN/c1-12-5-3-4-6-15(12)17-9-10-18(20-17)16-8-7-14(19)11-13(16)2/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole?
2-(4-chloro-2-methylphenyl)-5-(2-methylphenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 283.80 g/mol, XLogP of 5.28, 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-methylphenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).