1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one

C17H17Cl2N5O2 — CID 91817114

IUPAC1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cn(C2CN(C(=O)c3ccc(Cl)c(Cl)c3)C2)nn1
InChIInChI=1S/C17H17Cl2N5O2/c18-14-4-3-11(6-15(14)19)17(26)23-9-13(10-23)24-8-12(20-21-24)7-22-5-1-2-16(22)25/h3-4,6,8,13H,1-2,5,7,9-10H2
InChIKeyFMKWELRGHHZDNC-UHFFFAOYSA-N
MW394.26 g/mol
LogP2.40
Rot. Bonds4

About 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one

1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one (PubChem CID 91817114) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
PubChem CID91817114
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cn(C2CN(C(=O)c3ccc(Cl)c(Cl)c3)C2)nn1
InChIInChI=1S/C17H17Cl2N5O2/c18-14-4-3-11(6-15(14)19)17(26)23-9-13(10-23)24-8-12(20-21-24)7-22-5-1-2-16(22)25/h3-4,6,8,13H,1-2,5,7,9-10H2
InChIKeyFMKWELRGHHZDNC-UHFFFAOYSA-N
XLogP2.40
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[[1-[1-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
CID 91817124
1-[[1-[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
CID 91629996
1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 119564568
1-[[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 120658389
1-[[4-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 55555950
2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone
CID 154837451
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide
CID 9218955
1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
1-(3,4-dichlorobenzoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 55630854

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one (CID 91817114) is 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cn(C2CN(C(=O)c3ccc(Cl)c(Cl)c3)C2)nn1.
What is the InChIKey of 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is FMKWELRGHHZDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c18-14-4-3-11(6-15(14)19)17(26)23-9-13(10-23)24-8-12(20-21-24)7-22-5-1-2-16(22)25/h3-4,6,8,13H,1-2,5,7,9-10H2.
What are the key properties of 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 394.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91817114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).