N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide

C18H20ClN3O2 — CID 124840763

IUPACN-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1[C@H]1CCCC1=O
InChIInChI=1S/C18H20ClN3O2/c19-13-7-6-12(10-20)15(9-13)21-18(24)11-22-8-2-4-16(22)14-3-1-5-17(14)23/h6-7,9,14,16H,1-5,8,11H2,(H,21,24)/t14-,16-/m1/s1
InChIKeyMAPDBADWYXGMHE-GDBMZVCRSA-N
MW345.83 g/mol
LogP2.98
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide

N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide (PubChem CID 124840763) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide
PubChem CID124840763
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1[C@H]1CCCC1=O
InChIInChI=1S/C18H20ClN3O2/c19-13-7-6-12(10-20)15(9-13)21-18(24)11-22-8-2-4-16(22)14-3-1-5-17(14)23/h6-7,9,14,16H,1-5,8,11H2,(H,21,24)/t14-,16-/m1/s1
InChIKeyMAPDBADWYXGMHE-GDBMZVCRSA-N
XLogP2.98
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3625247
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide (CID 124840763) is N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide is N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1[C@H]1CCCC1=O.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide?
The InChIKey is MAPDBADWYXGMHE-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-13-7-6-12(10-20)15(9-13)21-18(24)11-22-8-2-4-16(22)14-3-1-5-17(14)23/h6-7,9,14,16H,1-5,8,11H2,(H,21,24)/t14-,16-/m1/s1.
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide has a molecular weight of 345.83 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-[(1R)-2-oxocyclopentyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124840763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).