2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid

C18H13Cl2NO3 — CID 154125562

IUPAC2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid
SMILESCc1c(C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2n1CC(=O)O
InChIInChI=1S/C18H13Cl2NO3/c1-10-17(18(24)11-2-4-12(19)5-3-11)14-7-6-13(20)8-15(14)21(10)9-16(22)23/h2-8H,9H2,1H3,(H,22,23)
InChIKeyIGWRAYKYQAXROP-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.57
Rot. Bonds4

About 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid

2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid (PubChem CID 154125562) has the molecular formula C18H13Cl2NO3 and a molecular weight of 362.21 g/mol. Its IUPAC name is 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid
PubChem CID154125562
Molecular FormulaC18H13Cl2NO3
Molecular Weight362.21 g/mol
Exact Mass361.03
IUPAC Name2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid
SMILESCc1c(C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2n1CC(=O)O
InChIInChI=1S/C18H13Cl2NO3/c1-10-17(18(24)11-2-4-12(19)5-3-11)14-7-6-13(20)8-15(14)21(10)9-16(22)23/h2-8H,9H2,1H3,(H,22,23)
InChIKeyIGWRAYKYQAXROP-UHFFFAOYSA-N
XLogP4.57
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
CID 10090285
6-chloro-3-(4-chlorobenzoyl)-1-[(4-chlorophenyl)methyl]indole-2-carboxylic acid
CID 134224175
1-(carboxymethyl)-3-(4-chlorophenyl)-2-methylindole-5-carboxylic acid
CID 174484175
2-[6-chloro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid
CID 145445897
2-[6-chloro-2-methyl-3-[6-(trifluoromethyl)-1-benzothiophen-3-yl]indol-1-yl]acetic acid
CID 138662597
2-[6-chloro-3-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)-2-methylindol-1-yl]acetic acid
CID 138662377
2-[6-chloro-3-(5-fluoro-1-oxo-1-benzothiophen-3-yl)-2-methylindol-1-yl]acetic acid
CID 163586931
6-chloro-10-ethyl-9-oxoacridine-2-carboxylic acid
CID 10979548
2-[3-(7-chloroquinolin-4-yl)-2,5-dimethyl-6-methylsulfonylindol-1-yl]acetic acid
CID 66651797
2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
CID 10407275
(2S)-2-[4-chloro-3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]methyl]phenoxy]propanoic acid
CID 58818371
2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetic acid
CID 67982164

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid (CID 154125562) is 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid is Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2n1CC(=O)O.
What is the InChIKey of 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid?
The InChIKey is IGWRAYKYQAXROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO3/c1-10-17(18(24)11-2-4-12(19)5-3-11)14-7-6-13(20)8-15(14)21(10)9-16(22)23/h2-8H,9H2,1H3,(H,22,23).
What are the key properties of 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid?
2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid has a molecular weight of 362.21 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 154125562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).