3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide

C21H22ClN3O2 — CID 164615851

IUPAC3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide
SMILESCn1ccc2cc(CNC(=O)N3CC(COc4ccc(Cl)cc4)C3)ccc21
InChIInChI=1S/C21H22ClN3O2/c1-24-9-8-17-10-15(2-7-20(17)24)11-23-21(26)25-12-16(13-25)14-27-19-5-3-18(22)4-6-19/h2-10,16H,11-14H2,1H3,(H,23,26)
InChIKeyOFNZJJPALIQXGM-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.05
Rot. Bonds5

About 3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide

3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide (PubChem CID 164615851) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide
PubChem CID164615851
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide
SMILESCn1ccc2cc(CNC(=O)N3CC(COc4ccc(Cl)cc4)C3)ccc21
InChIInChI=1S/C21H22ClN3O2/c1-24-9-8-17-10-15(2-7-20(17)24)11-23-21(26)25-12-16(13-25)14-27-19-5-3-18(22)4-6-19/h2-10,16H,11-14H2,1H3,(H,23,26)
InChIKeyOFNZJJPALIQXGM-UHFFFAOYSA-N
XLogP4.05
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide (CID 164615851) is 3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide is Cn1ccc2cc(CNC(=O)N3CC(COc4ccc(Cl)cc4)C3)ccc21.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide?
The InChIKey is OFNZJJPALIQXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-24-9-8-17-10-15(2-7-20(17)24)11-23-21(26)25-12-16(13-25)14-27-19-5-3-18(22)4-6-19/h2-10,16H,11-14H2,1H3,(H,23,26).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide?
3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 164615851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).