[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate

C18H14F2N2O3 — CID 18776513

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C18H14F2N2O3/c1-22-9-13(12-4-2-3-5-16(12)22)18(24)25-10-17(23)21-15-7-6-11(19)8-14(15)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyCQIYOFZGSMGWJO-UHFFFAOYSA-N
MW344.32 g/mol
LogP3.25
Rot. Bonds4

About [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate

[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate (PubChem CID 18776513) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
PubChem CID18776513
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C18H14F2N2O3/c1-22-9-13(12-4-2-3-5-16(12)22)18(24)25-10-17(23)21-15-7-6-11(19)8-14(15)20/h2-9H,10H2,1H3,(H,21,23)
InChIKeyCQIYOFZGSMGWJO-UHFFFAOYSA-N
XLogP3.25
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816055
[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816197
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816511
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229200
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855189
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498559
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555012
[2-(4-nitroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816265
[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 55404137
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 18776515
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283
[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817263

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate (CID 18776513) is [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate is Cn1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c2ccccc21.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The InChIKey is CQIYOFZGSMGWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c1-22-9-13(12-4-2-3-5-16(12)22)18(24)25-10-17(23)21-15-7-6-11(19)8-14(15)20/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate has a molecular weight of 344.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 18776513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).