2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide

C16H17ClN2O2 — CID 63367424

IUPAC2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide
SMILESC[C@H](N)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(18)12-3-2-4-15(9-12)21-10-16(20)19-14-7-5-13(17)6-8-14/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyPPLKBNXDGFVKJG-NSHDSACASA-N
MW304.78 g/mol
LogP3.38
Rot. Bonds5

About 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide

2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide (PubChem CID 63367424) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide
PubChem CID63367424
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide
SMILESC[C@H](N)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(18)12-3-2-4-15(9-12)21-10-16(20)19-14-7-5-13(17)6-8-14/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyPPLKBNXDGFVKJG-NSHDSACASA-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

2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930302
N-(4-chlorophenyl)-2-(3-ethoxyphenoxy)acetamide
CID 112977797
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide
CID 78930303
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 63367234
[2-(4-chloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7695103
N-(3-fluoro-4-methylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884614
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide (CID 63367424) is 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide is C[C@H](N)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide?
The InChIKey is PPLKBNXDGFVKJG-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(18)12-3-2-4-15(9-12)21-10-16(20)19-14-7-5-13(17)6-8-14/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide?
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-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-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 63367424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).