(4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone

C18H16Cl3NO — CID 3327067

IUPAC(4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone
SMILESCN1CC(C(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H16Cl3NO/c1-22-9-15(14-7-6-13(20)8-17(14)21)16(10-22)18(23)11-2-4-12(19)5-3-11/h2-8,15-16H,9-10H2,1H3
InChIKeyDOGYPPMIZGQYII-UHFFFAOYSA-N
MW368.69 g/mol
LogP5.17
Rot. Bonds3

About (4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone

(4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone (PubChem CID 3327067) has the molecular formula C18H16Cl3NO and a molecular weight of 368.69 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone
PubChem CID3327067
Molecular FormulaC18H16Cl3NO
Molecular Weight368.69 g/mol
Exact Mass367.03
IUPAC Name(4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone
SMILESCN1CC(C(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H16Cl3NO/c1-22-9-15(14-7-6-13(20)8-17(14)21)16(10-22)18(23)11-2-4-12(19)5-3-11/h2-8,15-16H,9-10H2,1H3
InChIKeyDOGYPPMIZGQYII-UHFFFAOYSA-N
XLogP5.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.69
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone (CID 3327067) is (4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone is CN1CC(C(=O)c2ccc(Cl)cc2)C(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone?
The InChIKey is DOGYPPMIZGQYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3NO/c1-22-9-15(14-7-6-13(20)8-17(14)21)16(10-22)18(23)11-2-4-12(19)5-3-11/h2-8,15-16H,9-10H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone?
(4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone has a molecular weight of 368.69 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2,4-dichlorophenyl)-1-methylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 3327067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).