1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone

C14H11ClN2O2 — CID 106691110

IUPAC1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2ccoc2Cl)c2ccccc21
InChIInChI=1S/C14H11ClN2O2/c1-17-12-5-3-2-4-9(12)11(16-17)8-13(18)10-6-7-19-14(10)15/h2-7H,8H2,1H3
InChIKeyYQWHPIGFNRQKRV-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone

1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone (PubChem CID 106691110) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone
PubChem CID106691110
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2ccoc2Cl)c2ccccc21
InChIInChI=1S/C14H11ClN2O2/c1-17-12-5-3-2-4-9(12)11(16-17)8-13(18)10-6-7-19-14(10)15/h2-7H,8H2,1H3
InChIKeyYQWHPIGFNRQKRV-UHFFFAOYSA-N
XLogP3.25
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 107996468
1-(5-bromo-2-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 114894285
1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 115778454
1-(3-amino-5-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 116597401
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 106692425
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
CID 122107123
1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
CID 116605215
1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
CID 79722368
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 106692423
1-(4,5-dibromothiophen-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 115778362
1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 105111002

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone (CID 106691110) is 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone is Cn1nc(CC(=O)c2ccoc2Cl)c2ccccc21.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is YQWHPIGFNRQKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-17-12-5-3-2-4-9(12)11(16-17)8-13(18)10-6-7-19-14(10)15/h2-7H,8H2,1H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone?
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 274.71 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 106691110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).