2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate

C17H10ClFNO3- — CID 18542371

IUPAC2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate
SMILESO=C([O-])Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c2cc(F)ccc12
InChIInChI=1S/C17H11ClFNO3/c18-10-3-1-9(2-4-10)17(23)16-13(8-15(21)22)12-6-5-11(19)7-14(12)20-16/h1-7,20H,8H2,(H,21,22)/p-1
InChIKeyMYDDXBOZCRRFSN-UHFFFAOYSA-M
MW330.72 g/mol
LogP2.48
Rot. Bonds4

About 2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate

2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate (PubChem CID 18542371) has the molecular formula C17H10ClFNO3- and a molecular weight of 330.72 g/mol. Its IUPAC name is 2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate.

Molecular Properties

Compound Name2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate
PubChem CID18542371
Molecular FormulaC17H10ClFNO3-
Molecular Weight330.72 g/mol
Exact Mass330.03
IUPAC Name2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate
SMILESO=C([O-])Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c2cc(F)ccc12
InChIInChI=1S/C17H11ClFNO3/c18-10-3-1-9(2-4-10)17(23)16-13(8-15(21)22)12-6-5-11(19)7-14(12)20-16/h1-7,20H,8H2,(H,21,22)/p-1
InChIKeyMYDDXBOZCRRFSN-UHFFFAOYSA-M
XLogP2.48
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[6-chloro-2-(4-pyridin-3-ylbenzoyl)-1H-indol-3-yl]acetate
CID 18542383
2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid
CID 18542206
methyl 2-[6-chloro-2-(4-chloro-3-fluorobenzoyl)-1H-indol-3-yl]acetate
CID 23003541
2-[6-chloro-2-[4-(hydroxymethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 18542242
2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
CID 18542262
methyl 2-[6-chloro-2-[4-(trifluoromethoxy)benzoyl]-1H-indol-3-yl]acetate
CID 23003215
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
sodium 2-[2-amino-3-(4-chlorobenzoyl)-5-fluorophenyl]acetate
CID 23711005
2-[5-chloro-2-(6-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
CID 18542170
2-(2,5-difluorophenyl)acetate
CID 6951702
[6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indol-2-yl]-pyridin-4-ylmethanone
CID 70108692
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate?
The IUPAC name of 2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate (CID 18542371) is 2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate.
What is the SMILES notation for 2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate?
The canonical SMILES for 2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate is O=C([O-])Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c2cc(F)ccc12.
What is the InChIKey of 2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate?
The InChIKey is MYDDXBOZCRRFSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H11ClFNO3/c18-10-3-1-9(2-4-10)17(23)16-13(8-15(21)22)12-6-5-11(19)7-14(12)20-16/h1-7,20H,8H2,(H,21,22)/p-1.
What are the key properties of 2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate?
2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate has a molecular weight of 330.72 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate is sourced from PubChem (CID 18542371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).