2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide

C16H17ClN2O2 — CID 78930302

IUPAC2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
SMILESC[C@@H](N)c1cccc(OCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(18)12-5-4-6-13(9-12)21-10-16(20)19-15-8-3-2-7-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyUEWFHPGKUHLLFO-LLVKDONJSA-N
MW304.78 g/mol
LogP3.38
Rot. Bonds5

About 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide

2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide (PubChem CID 78930302) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
PubChem CID78930302
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
SMILESC[C@@H](N)c1cccc(OCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(18)12-5-4-6-13(9-12)21-10-16(20)19-15-8-3-2-7-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyUEWFHPGKUHLLFO-LLVKDONJSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 43504310
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide
CID 78930303
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 63367424
2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930426
3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate
CID 2229520
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 63367234
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
CID 1285426
2-(3-aminophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 39107715
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide (CID 78930302) is 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide is C[C@@H](N)c1cccc(OCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The InChIKey is UEWFHPGKUHLLFO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(18)12-5-4-6-13(9-12)21-10-16(20)19-15-8-3-2-7-14(15)17/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide?
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 78930302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).