azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone

C12H10ClFN2O — CID 166285155

IUPACazetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCC1
InChIInChI=1S/C12H10ClFN2O/c13-9-4-7(14)5-10-8(9)6-11(15-10)12(17)16-2-1-3-16/h4-6,15H,1-3H2
InChIKeyDAVMHYGQSATGAM-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.81
Rot. Bonds1

About azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone

azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone (PubChem CID 166285155) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
PubChem CID166285155
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Nameazetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCC1
InChIInChI=1S/C12H10ClFN2O/c13-9-4-7(14)5-10-8(9)6-11(15-10)12(17)16-2-1-3-16/h4-6,15H,1-3H2
InChIKeyDAVMHYGQSATGAM-UHFFFAOYSA-N
XLogP2.81
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-6-fluoro-1H-indol-2-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 166286465
azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
CID 167907926
4-chloro-6-fluoro-1H-indole-2-carboxamide
CID 175458349
(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-(4-chloro-6-fluoro-1H-indol-2-yl)methanone
CID 150805748
1-(6-fluoro-4-methyl-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 119135616
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
[(3R,4R)-3,4-diaminopyrrolidin-1-yl]-(6-fluoro-4-methyl-1H-indol-2-yl)methanone
CID 155954106
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone
CID 122650225
5-(4-chloro-6-fluoro-1H-indole-2-carbonyl)-N-[1-(ethoxymethyl)cyclopropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 142576716
(4,6-dimethyl-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828303
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[4-(5-chloro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850390

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone (CID 166285155) is azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone is O=C(c1cc2c(Cl)cc(F)cc2[nH]1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone?
The InChIKey is DAVMHYGQSATGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c13-9-4-7(14)5-10-8(9)6-11(15-10)12(17)16-2-1-3-16/h4-6,15H,1-3H2.
What are the key properties of azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone?
azetidin-1-yl-(4-chloro-6-fluoro-1H-indol-2-yl)methanone has a molecular weight of 252.68 g/mol, XLogP of 2.81, 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-6-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 166285155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).