1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C18H17ClN2O3 — CID 18587974

IUPAC1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c1-20-18(23)16-10-12-4-2-3-5-15(12)21(16)17(22)11-24-14-8-6-13(19)7-9-14/h2-9,16H,10-11H2,1H3,(H,20,23)
InChIKeyWORZSRYKTGYIKJ-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.42
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 18587974) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID18587974
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c1-20-18(23)16-10-12-4-2-3-5-15(12)21(16)17(22)11-24-14-8-6-13(19)7-9-14/h2-9,16H,10-11H2,1H3,(H,20,23)
InChIKeyWORZSRYKTGYIKJ-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 18587974) is 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is WORZSRYKTGYIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-20-18(23)16-10-12-4-2-3-5-15(12)21(16)17(22)11-24-14-8-6-13(19)7-9-14/h2-9,16H,10-11H2,1H3,(H,20,23).
What are the key properties of 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18587974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).