2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide

C15H16ClN3O2 — CID 70685558

IUPAC2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O2/c16-12-5-3-11(4-6-12)8-14(20)18-10-15(21)19-7-1-2-13(19)9-17/h3-6,13H,1-2,7-8,10H2,(H,18,20)/t13-/m0/s1
InChIKeyUOSJMPWHXCJRPO-ZDUSSCGKSA-N
MW305.76 g/mol
LogP1.51
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide

2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 70685558) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID70685558
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESN#C[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O2/c16-12-5-3-11(4-6-12)8-14(20)18-10-15(21)19-7-1-2-13(19)9-17/h3-6,13H,1-2,7-8,10H2,(H,18,20)/t13-/m0/s1
InChIKeyUOSJMPWHXCJRPO-ZDUSSCGKSA-N
XLogP1.51
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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m-Chlorobenzylamide, 2
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N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
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Phe-Pro-CN
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CID 44224115
Dipeptidyl nitrile inhibitor, 6
CID 44224116
m-Chlorobenzylamide, 7
CID 44237086
(2S,3S)-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895793
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
(2R)-N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 54584254

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 70685558) is 2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide is N#C[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is UOSJMPWHXCJRPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-5-3-11(4-6-12)8-14(20)18-10-15(21)19-7-1-2-13(19)9-17/h3-6,13H,1-2,7-8,10H2,(H,18,20)/t13-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 305.76 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 70685558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).