3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide

C15H18Cl2N2O2 — CID 72884702

IUPAC3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
SMILESCCCN1CC(NC(=O)c2cc(Cl)c(C)c(Cl)c2)CC1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-3-4-19-8-11(7-14(19)20)18-15(21)10-5-12(16)9(2)13(17)6-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,18,21)
InChIKeyPGCXFJZPJGMCQW-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.04
Rot. Bonds4

About 3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide

3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide (PubChem CID 72884702) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
PubChem CID72884702
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
SMILESCCCN1CC(NC(=O)c2cc(Cl)c(C)c(Cl)c2)CC1=O
InChIInChI=1S/C15H18Cl2N2O2/c1-3-4-19-8-11(7-14(19)20)18-15(21)10-5-12(16)9(2)13(17)6-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,18,21)
InChIKeyPGCXFJZPJGMCQW-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide (CID 72884702) is 3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide is CCCN1CC(NC(=O)c2cc(Cl)c(C)c(Cl)c2)CC1=O.
What is the InChIKey of 3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
The InChIKey is PGCXFJZPJGMCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-3-4-19-8-11(7-14(19)20)18-15(21)10-5-12(16)9(2)13(17)6-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,18,21).
What are the key properties of 3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide?
3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide has a molecular weight of 329.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 72884702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).