2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide

C19H23ClN2O2 — CID 47052594

IUPAC2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide
SMILESCCC(NCc1ccccc1Cl)c1ccccc1OCC(=O)NC
InChIInChI=1S/C19H23ClN2O2/c1-3-17(22-12-14-8-4-6-10-16(14)20)15-9-5-7-11-18(15)24-13-19(23)21-2/h4-11,17,22H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyIRVGYLVTJUXZIH-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.71
Rot. Bonds8

About 2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide

2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide (PubChem CID 47052594) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide
PubChem CID47052594
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide
SMILESCCC(NCc1ccccc1Cl)c1ccccc1OCC(=O)NC
InChIInChI=1S/C19H23ClN2O2/c1-3-17(22-12-14-8-4-6-10-16(14)20)15-9-5-7-11-18(15)24-13-19(23)21-2/h4-11,17,22H,3,12-13H2,1-2H3,(H,21,23)
InChIKeyIRVGYLVTJUXZIH-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide (CID 47052594) is 2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide is CCC(NCc1ccccc1Cl)c1ccccc1OCC(=O)NC.
What is the InChIKey of 2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide?
The InChIKey is IRVGYLVTJUXZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-17(22-12-14-8-4-6-10-16(14)20)15-9-5-7-11-18(15)24-13-19(23)21-2/h4-11,17,22H,3,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide?
2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide has a molecular weight of 346.86 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2-chlorophenyl)methylamino]propyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 47052594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).