N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C16H21ClN2O2 — CID 3429042

IUPACN-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-11(2)19-14(7-8-15(19)20)16(21)18-10-9-12-3-5-13(17)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,18,21)
InChIKeyZVIKMVOLSDONOG-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 3429042) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID3429042
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-11(2)19-14(7-8-15(19)20)16(21)18-10-9-12-3-5-13(17)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,18,21)
InChIKeyZVIKMVOLSDONOG-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 3429042) is N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1C(=O)CCC1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is ZVIKMVOLSDONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11(2)19-14(7-8-15(19)20)16(21)18-10-9-12-3-5-13(17)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3429042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).