2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide

C16H17ClN2O2 — CID 60906318

IUPAC2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
SMILESNCCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-13-6-7-15(12(10-13)8-9-18)21-11-16(20)19-14-4-2-1-3-5-14/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyRJTDDTIUOUARHM-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.86
Rot. Bonds6

About 2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide

2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide (PubChem CID 60906318) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
PubChem CID60906318
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide
SMILESNCCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-13-6-7-15(12(10-13)8-9-18)21-11-16(20)19-14-4-2-1-3-5-14/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyRJTDDTIUOUARHM-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 43277899
2-[2-(aminomethyl)-5-chlorophenoxy]-N-phenylacetamide
CID 114322295
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
2-[2-(2-aminoethyl)phenoxy]-N-(4-bromophenyl)acetamide
CID 60905403
2-(2-benzyl-4-chlorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 33482790
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
2-[2-(aminomethyl)-4-chlorophenoxy]-N-prop-2-enylacetamide
CID 60879262
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide (CID 60906318) is 2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide is NCCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide?
The InChIKey is RJTDDTIUOUARHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-13-6-7-15(12(10-13)8-9-18)21-11-16(20)19-14-4-2-1-3-5-14/h1-7,10H,8-9,11,18H2,(H,19,20).
What are the key properties of 2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide?
2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide has a molecular weight of 304.78 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-phenylacetamide is sourced from PubChem (CID 60906318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).