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

C16H17ClN2O2 — CID 78930426

IUPAC2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
SMILESC[C@H](N)c1ccccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11(18)12-6-2-5-9-15(12)21-10-16(20)19-14-8-4-3-7-13(14)17/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyGGRMNFQURKKVKJ-NSHDSACASA-N
MW304.78 g/mol
LogP3.38
Rot. Bonds5

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

2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide (PubChem CID 78930426) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
PubChem CID78930426
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
SMILESC[C@H](N)c1ccccc1OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11(18)12-6-2-5-9-15(12)21-10-16(20)19-14-8-4-3-7-13(14)17/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyGGRMNFQURKKVKJ-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-[2-(2-chloroanilino)-2-oxoethoxy]benzamide
CID 3481891
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
CID 30118137
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930302
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981
N-(2-chlorophenyl)-2-(2-trimethylsilyloxyphenoxy)acetamide
CID 91696728
2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7900625
2-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 1331749
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2-hydroxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 78781647

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide (CID 78930426) is 2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide is C[C@H](N)c1ccccc1OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide?
The InChIKey is GGRMNFQURKKVKJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(18)12-6-2-5-9-15(12)21-10-16(20)19-14-8-4-3-7-13(14)17/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide?
2-[2-[(1S)-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-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 78930426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).