N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide

C17H21ClN2O3 — CID 111539971

IUPACN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)NC1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H21ClN2O3/c18-12-3-5-13(6-4-12)20-10-7-14(16(20)22)19-15(21)11-17(23)8-1-2-9-17/h3-6,14,23H,1-2,7-11H2,(H,19,21)
InChIKeyKRCAWARJFSLRHS-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.26
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide

N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111539971) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111539971
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC NameN-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)NC1CCN(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H21ClN2O3/c18-12-3-5-13(6-4-12)20-10-7-14(16(20)22)19-15(21)11-17(23)8-1-2-9-17/h3-6,14,23H,1-2,7-11H2,(H,19,21)
InChIKeyKRCAWARJFSLRHS-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide (CID 111539971) is N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide is O=C(CC1(O)CCCC1)NC1CCN(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is KRCAWARJFSLRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-12-3-5-13(6-4-12)20-10-7-14(16(20)22)19-15(21)11-17(23)8-1-2-9-17/h3-6,14,23H,1-2,7-11H2,(H,19,21).
What are the key properties of N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide?
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 336.82 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111539971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).