2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid

C17H10Cl2FNO3 — CID 18542206

IUPAC2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12
InChIInChI=1S/C17H10Cl2FNO3/c18-9-3-1-8(2-4-9)17(24)16-11(6-15(22)23)10-5-13(20)12(19)7-14(10)21-16/h1-5,7,21H,6H2,(H,22,23)
InChIKeyLUGZWOKPMJPQCG-UHFFFAOYSA-N
MW366.18 g/mol
LogP4.47
Rot. Bonds4

About 2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid

2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid (PubChem CID 18542206) has the molecular formula C17H10Cl2FNO3 and a molecular weight of 366.18 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid
PubChem CID18542206
Molecular FormulaC17H10Cl2FNO3
Molecular Weight366.18 g/mol
Exact Mass365.00
IUPAC Name2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12
InChIInChI=1S/C17H10Cl2FNO3/c18-9-3-1-8(2-4-9)17(24)16-11(6-15(22)23)10-5-13(20)12(19)7-14(10)21-16/h1-5,7,21H,6H2,(H,22,23)
InChIKeyLUGZWOKPMJPQCG-UHFFFAOYSA-N
XLogP4.47
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorobenzoyl)-6-fluoro-1H-indol-3-yl]acetate
CID 18542371
methyl 2-[6-chloro-2-(4-chloro-3-fluorobenzoyl)-1H-indol-3-yl]acetate
CID 23003541
3-(carboxymethyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 18780519
2-[5-chloro-2-(4,6-dimethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542362
2-[5-chloro-2-(3,4-dimethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542235
methyl 2-[6-chloro-2-[4-(trifluoromethoxy)benzoyl]-1H-indol-3-yl]acetate
CID 23003215
2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542250
2-[6-chloro-2-(3-ethoxy-4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 23003451
3-(3-chloro-4-fluorophenyl)-3-oxopropanoic acid
CID 69156717
N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide
CID 174434623
2-[2-(4-chlorophenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3994534
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid (CID 18542206) is 2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid is O=C(O)Cc1c(C(=O)c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12.
What is the InChIKey of 2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid?
The InChIKey is LUGZWOKPMJPQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FNO3/c18-9-3-1-8(2-4-9)17(24)16-11(6-15(22)23)10-5-13(20)12(19)7-14(10)21-16/h1-5,7,21H,6H2,(H,22,23).
What are the key properties of 2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid?
2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid has a molecular weight of 366.18 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-chlorobenzoyl)-5-fluoro-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 18542206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).