2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide

C15H13Cl2NO2 — CID 2632938

IUPAC2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c16-12-4-1-3-11(7-12)9-18-15(19)10-20-14-6-2-5-13(17)8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyUFSZRBQIFSKNCL-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.69
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide

2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 2632938) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID2632938
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c16-12-4-1-3-11(7-12)9-18-15(19)10-20-14-6-2-5-13(17)8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyUFSZRBQIFSKNCL-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide (CID 2632938) is 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide is O=C(COc1cccc(Cl)c1)NCc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is UFSZRBQIFSKNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-12-4-1-3-11(7-12)9-18-15(19)10-20-14-6-2-5-13(17)8-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide?
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 310.18 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 2632938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).