4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid

C18H14Cl2N2O3 — CID 21460720

IUPAC4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid
SMILESCN(CC(=O)c1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C18H14Cl2N2O3/c1-22(9-14(23)10-5-3-2-4-6-10)17-15-12(20)7-11(19)8-13(15)21-16(17)18(24)25/h2-8,21H,9H2,1H3,(H,24,25)
InChIKeyPSNUAYGGOXACAR-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.49
Rot. Bonds5

About 4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid

4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid (PubChem CID 21460720) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid
PubChem CID21460720
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid
SMILESCN(CC(=O)c1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12
InChIInChI=1S/C18H14Cl2N2O3/c1-22(9-14(23)10-5-3-2-4-6-10)17-15-12(20)7-11(19)8-13(15)21-16(17)18(24)25/h2-8,21H,9H2,1H3,(H,24,25)
InChIKeyPSNUAYGGOXACAR-UHFFFAOYSA-N
XLogP4.49
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid?
The IUPAC name of 4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid (CID 21460720) is 4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid is CN(CC(=O)c1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12.
What is the InChIKey of 4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid?
The InChIKey is PSNUAYGGOXACAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-22(9-14(23)10-5-3-2-4-6-10)17-15-12(20)7-11(19)8-13(15)21-16(17)18(24)25/h2-8,21H,9H2,1H3,(H,24,25).
What are the key properties of 4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid?
4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid has a molecular weight of 377.23 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-[methyl(phenacyl)amino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 21460720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).