2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide

C15H15ClN2O2 — CID 114322295

IUPAC2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide
SMILESNCc1ccc(Cl)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C15H15ClN2O2/c16-12-7-6-11(9-17)14(8-12)20-10-15(19)18-13-4-2-1-3-5-13/h1-8H,9-10,17H2,(H,18,19)
InChIKeyXSRQLBXMHXOCJH-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.82
Rot. Bonds5

About 2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide

2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide (PubChem CID 114322295) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide
PubChem CID114322295
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide
SMILESNCc1ccc(Cl)cc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C15H15ClN2O2/c16-12-7-6-11(9-17)14(8-12)20-10-15(19)18-13-4-2-1-3-5-13/h1-8H,9-10,17H2,(H,18,19)
InChIKeyXSRQLBXMHXOCJH-UHFFFAOYSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
CID 60906318
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899
2-[2-(aminomethyl)-5-chlorophenoxy]-N-(2-methylpropyl)acetamide
CID 113277203
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62808750
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 107741251
2-(2,4-dichloro-3-methylphenoxy)-N-phenylacetamide
CID 15917895

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide (CID 114322295) is 2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide is NCc1ccc(Cl)cc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide?
The InChIKey is XSRQLBXMHXOCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-7-6-11(9-17)14(8-12)20-10-15(19)18-13-4-2-1-3-5-13/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide?
2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide has a molecular weight of 290.75 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide is sourced from PubChem (CID 114322295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).