1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone

C16H12ClFN2O — CID 107996468

IUPAC1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2ccc(Cl)c(F)c2)c2ccccc21
InChIInChI=1S/C16H12ClFN2O/c1-20-15-5-3-2-4-11(15)14(19-20)9-16(21)10-6-7-12(17)13(18)8-10/h2-8H,9H2,1H3
InChIKeyKZPQBTJDUDTWGF-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.79
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone

1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone (PubChem CID 107996468) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
PubChem CID107996468
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2ccc(Cl)c(F)c2)c2ccccc21
InChIInChI=1S/C16H12ClFN2O/c1-20-15-5-3-2-4-11(15)14(19-20)9-16(21)10-6-7-12(17)13(18)8-10/h2-8H,9H2,1H3
InChIKeyKZPQBTJDUDTWGF-UHFFFAOYSA-N
XLogP3.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(5-bromo-2-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 114894285
1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 105111002
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 106691110
1-(5-fluoro-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
CID 79722368
2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-(4,5-dibromothiophen-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 115778362
1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107996510
1-(4-chloro-3-fluorophenyl)butan-1-one
CID 70297429
(3,4-difluorophenyl)-(1-methylindazol-3-yl)methanone
CID 103124566
1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
CID 116605215

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone (CID 107996468) is 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone is Cn1nc(CC(=O)c2ccc(Cl)c(F)c2)c2ccccc21.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is KZPQBTJDUDTWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-20-15-5-3-2-4-11(15)14(19-20)9-16(21)10-6-7-12(17)13(18)8-10/h2-8H,9H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone?
1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 302.74 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 107996468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).