N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide

C15H13ClN6O2 — CID 97235838

IUPACN-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
SMILESN#Cc1ncn(CC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)n1
InChIInChI=1S/C15H13ClN6O2/c16-10-2-1-3-11(6-10)22-5-4-12(15(22)24)19-14(23)8-21-9-18-13(7-17)20-21/h1-3,6,9,12H,4-5,8H2,(H,19,23)/t12-/m0/s1
InChIKeyFUTJGHWBMKTYMA-LBPRGKRZSA-N
MW344.76 g/mol
LogP0.72
Rot. Bonds4

About N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide

N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide (PubChem CID 97235838) has the molecular formula C15H13ClN6O2 and a molecular weight of 344.76 g/mol. Its IUPAC name is N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
PubChem CID97235838
Molecular FormulaC15H13ClN6O2
Molecular Weight344.76 g/mol
Exact Mass344.08
IUPAC NameN-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
SMILESN#Cc1ncn(CC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)n1
InChIInChI=1S/C15H13ClN6O2/c16-10-2-1-3-11(6-10)22-5-4-12(15(22)24)19-14(23)8-21-9-18-13(7-17)20-21/h1-3,6,9,12H,4-5,8H2,(H,19,23)/t12-/m0/s1
InChIKeyFUTJGHWBMKTYMA-LBPRGKRZSA-N
XLogP0.72
TPSA103.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
CID 119814144
4-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563803
7-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119814105
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814150
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-methylpyrrolidin-3-yl)acetamide
CID 177199219
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551475
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
2-chloro-N-[1-(3-ethynylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 170916669
N-[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)butanamide
CID 166246898
3-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551477
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119814123

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide (CID 97235838) is N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide is N#Cc1ncn(CC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)n1.
What is the InChIKey of N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
The InChIKey is FUTJGHWBMKTYMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13ClN6O2/c16-10-2-1-3-11(6-10)22-5-4-12(15(22)24)19-14(23)8-21-9-18-13(7-17)20-21/h1-3,6,9,12H,4-5,8H2,(H,19,23)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide?
N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide has a molecular weight of 344.76 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 97235838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).