1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone

C16H12BrClN2O — CID 115778454

IUPAC1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2ccc(Br)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H12BrClN2O/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
InChIKeyFKLXCYAHHZXHID-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.41
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone

1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone (PubChem CID 115778454) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
PubChem CID115778454
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2ccc(Br)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H12BrClN2O/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
InChIKeyFKLXCYAHHZXHID-UHFFFAOYSA-N
XLogP4.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 107996468
1-(5-bromothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 105111002
1-(4,5-dibromothiophen-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 115778362
1-(3-amino-5-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 116597401
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanone
CID 106691110
1-(5-bromo-2-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 114894285
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-(4-bromo-3-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107311568
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
(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone (CID 115778454) is 1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone is Cn1nc(CC(=O)c2ccc(Br)c(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is FKLXCYAHHZXHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/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-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone?
1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 363.64 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 115778454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).