azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone

C12H11ClN2O — CID 167907926

IUPACazetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2c(Cl)cccc2[nH]1)N1CCC1
InChIInChI=1S/C12H11ClN2O/c13-9-3-1-4-10-8(9)7-11(14-10)12(16)15-5-2-6-15/h1,3-4,7,14H,2,5-6H2
InChIKeyAWCZRHXTHJNHDL-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.67
Rot. Bonds1

About azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone

azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone (PubChem CID 167907926) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
PubChem CID167907926
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Nameazetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2c(Cl)cccc2[nH]1)N1CCC1
InChIInChI=1S/C12H11ClN2O/c13-9-3-1-4-10-8(9)7-11(14-10)12(16)15-5-2-6-15/h1,3-4,7,14H,2,5-6H2
InChIKeyAWCZRHXTHJNHDL-UHFFFAOYSA-N
XLogP2.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
CID 166285155
(4-chloro-1H-indol-2-yl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740995
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
1-(4-chloro-1H-indole-2-carbonyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628262
(3R)-1-(4-chloro-1H-indole-2-carbonyl)-3-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 124948732
4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide
CID 77096829
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
CID 166245873

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone (CID 167907926) is azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone is O=C(c1cc2c(Cl)cccc2[nH]1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone?
The InChIKey is AWCZRHXTHJNHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-9-3-1-4-10-8(9)7-11(14-10)12(16)15-5-2-6-15/h1,3-4,7,14H,2,5-6H2.
What are the key properties of azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone?
azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone has a molecular weight of 234.69 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone is sourced from PubChem (CID 167907926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).