N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide

C19H20ClNO3 — CID 7788222

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H20ClNO3/c1-3-18(22)14-7-9-17(10-8-14)24-12-19(23)21-13(2)15-5-4-6-16(20)11-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyAIYIRMPXLZCNMR-ZDUSSCGKSA-N
MW345.83 g/mol
LogP4.19
Rot. Bonds7

About N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 7788222) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID7788222
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H20ClNO3/c1-3-18(22)14-7-9-17(10-8-14)24-12-19(23)21-13(2)15-5-4-6-16(20)11-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyAIYIRMPXLZCNMR-ZDUSSCGKSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7471705
2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 7717900
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-cyanophenoxy)acetamide
CID 7503511
N-[(1R)-1-naphthalen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 7733632
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788075
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 8604827
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788220
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832863
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8868247
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide (CID 7788222) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is AIYIRMPXLZCNMR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-3-18(22)14-7-9-17(10-8-14)24-12-19(23)21-13(2)15-5-4-6-16(20)11-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 345.83 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 7788222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).