N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide

C17H22Cl2N2O2 — CID 67865641

IUPACN-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide
SMILESCC(=O)N(c1ccc(Cl)c(Cl)c1)C(C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C17H22Cl2N2O2/c1-11(2)16(17(23)20-8-4-5-9-20)21(12(3)22)13-6-7-14(18)15(19)10-13/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyWAICVEAAZGYSPE-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.99
Rot. Bonds4

About N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide

N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide (PubChem CID 67865641) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide
PubChem CID67865641
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC NameN-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide
SMILESCC(=O)N(c1ccc(Cl)c(Cl)c1)C(C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C17H22Cl2N2O2/c1-11(2)16(17(23)20-8-4-5-9-20)21(12(3)22)13-6-7-14(18)15(19)10-13/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyWAICVEAAZGYSPE-UHFFFAOYSA-N
XLogP3.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide (CID 67865641) is N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide is CC(=O)N(c1ccc(Cl)c(Cl)c1)C(C(=O)N1CCCC1)C(C)C.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide?
The InChIKey is WAICVEAAZGYSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-11(2)16(17(23)20-8-4-5-9-20)21(12(3)22)13-6-7-14(18)15(19)10-13/h6-7,10-11,16H,4-5,8-9H2,1-3H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide?
N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide has a molecular weight of 357.28 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-(3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide is sourced from PubChem (CID 67865641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).