3-(5-chloro-1H-indol-2-yl)benzoyl chloride

C15H9Cl2NO — CID 20556621

IUPAC3-(5-chloro-1H-indol-2-yl)benzoyl chloride
SMILESO=C(Cl)c1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C15H9Cl2NO/c16-12-4-5-13-11(7-12)8-14(18-13)9-2-1-3-10(6-9)15(17)19/h1-8,18H
InChIKeyWMDARRHGXCVKQN-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.87
Rot. Bonds2

About 3-(5-chloro-1H-indol-2-yl)benzoyl chloride

3-(5-chloro-1H-indol-2-yl)benzoyl chloride (PubChem CID 20556621) has the molecular formula C15H9Cl2NO and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-2-yl)benzoyl chloride.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-2-yl)benzoyl chloride
PubChem CID20556621
Molecular FormulaC15H9Cl2NO
Molecular Weight290.15 g/mol
Exact Mass289.01
IUPAC Name3-(5-chloro-1H-indol-2-yl)benzoyl chloride
SMILESO=C(Cl)c1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1
InChIInChI=1S/C15H9Cl2NO/c16-12-4-5-13-11(7-12)8-14(18-13)9-2-1-3-10(6-9)15(17)19/h1-8,18H
InChIKeyWMDARRHGXCVKQN-UHFFFAOYSA-N
XLogP4.87
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-1H-indol-2-yl)aniline
CID 39347249
N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide
CID 20970846
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-fluorobenzamide
CID 46334597
1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 46380914
methyl 3-(1H-indol-2-yl)benzoate
CID 44577790
bis[3-(5-nitro-1H-indol-2-yl)phenyl]methanone
CID 139625310
3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
CID 12023926
2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
CID 3010563
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008
N-[4-(5-chloro-1H-indol-2-yl)phenyl]-2-phenylacetamide
CID 46334596
5-(5-chloro-1H-indol-2-yl)-2-methylaniline
CID 39358848
5-chloro-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694477

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-2-yl)benzoyl chloride?
The IUPAC name of 3-(5-chloro-1H-indol-2-yl)benzoyl chloride (CID 20556621) is 3-(5-chloro-1H-indol-2-yl)benzoyl chloride.
What is the SMILES notation for 3-(5-chloro-1H-indol-2-yl)benzoyl chloride?
The canonical SMILES for 3-(5-chloro-1H-indol-2-yl)benzoyl chloride is O=C(Cl)c1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1.
What is the InChIKey of 3-(5-chloro-1H-indol-2-yl)benzoyl chloride?
The InChIKey is WMDARRHGXCVKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO/c16-12-4-5-13-11(7-12)8-14(18-13)9-2-1-3-10(6-9)15(17)19/h1-8,18H.
What are the key properties of 3-(5-chloro-1H-indol-2-yl)benzoyl chloride?
3-(5-chloro-1H-indol-2-yl)benzoyl chloride has a molecular weight of 290.15 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-2-yl)benzoyl chloride is sourced from PubChem (CID 20556621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).