1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid

C19H15Cl2NO4 — CID 99968705

IUPAC1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid
SMILESCc1cc(Cl)cc(Cl)c1OCC(=O)n1c(C)c(C(=O)O)c2ccccc21
InChIInChI=1S/C19H15Cl2NO4/c1-10-7-12(20)8-14(21)18(10)26-9-16(23)22-11(2)17(19(24)25)13-5-3-4-6-15(13)22/h3-8H,9H2,1-2H3,(H,24,25)
InChIKeyBFDTXGNSESPESB-UHFFFAOYSA-N
MW392.24 g/mol
LogP4.98
Rot. Bonds4

About 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid

1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid (PubChem CID 99968705) has the molecular formula C19H15Cl2NO4 and a molecular weight of 392.24 g/mol. Its IUPAC name is 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid
PubChem CID99968705
Molecular FormulaC19H15Cl2NO4
Molecular Weight392.24 g/mol
Exact Mass391.04
IUPAC Name1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid
SMILESCc1cc(Cl)cc(Cl)c1OCC(=O)n1c(C)c(C(=O)O)c2ccccc21
InChIInChI=1S/C19H15Cl2NO4/c1-10-7-12(20)8-14(21)18(10)26-9-16(23)22-11(2)17(19(24)25)13-5-3-4-6-15(13)22/h3-8H,9H2,1-2H3,(H,24,25)
InChIKeyBFDTXGNSESPESB-UHFFFAOYSA-N
XLogP4.98
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylate
CID 99968904
methyl 1-[2-(2-chloro-4,6-dimethylphenoxy)acetyl]-2-methylindole-3-carboxylate
CID 99967190
2-methyl-1-[2-(2-methylphenoxy)acetyl]indole-3-carboxamide
CID 99965412
1-(3-chloro-4-methoxybenzoyl)-2-methylindole-3-carboxylic acid
CID 91690715
1-[2-(2-fluorophenoxy)acetyl]-2-methylindole-3-carboxamide
CID 99965963
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-2-ylacetamide
CID 2892737
2-methyl-1-[2-(4-nitrophenyl)acetyl]indole-3-carboxylic acid
CID 91690300
2-methyl-1-(3-propoxybenzoyl)indole-3-carboxylic acid
CID 91690627
2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892762
2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid
CID 91690277
N-(6-chloro-2-phenylbenzotriazol-5-yl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 17220325
1-[2-(4-chlorophenyl)acetyl]-2-methylindole-3-carbohydrazide
CID 91690321

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid (CID 99968705) is 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid is Cc1cc(Cl)cc(Cl)c1OCC(=O)n1c(C)c(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid?
The InChIKey is BFDTXGNSESPESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4/c1-10-7-12(20)8-14(21)18(10)26-9-16(23)22-11(2)17(19(24)25)13-5-3-4-6-15(13)22/h3-8H,9H2,1-2H3,(H,24,25).
What are the key properties of 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid?
1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid has a molecular weight of 392.24 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichloro-6-methylphenoxy)acetyl]-2-methylindole-3-carboxylic acid is sourced from PubChem (CID 99968705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).