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

C23H20ClNO3 — CID 7717900

IUPAC2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H20ClNO3/c1-16(19-8-5-9-20(24)14-19)25-22(26)15-28-21-12-10-18(11-13-21)23(27)17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,25,26)/t16-/m0/s1
InChIKeyZBMSRKLRCUCBRT-INIZCTEOSA-N
MW393.87 g/mol
LogP4.83
Rot. Bonds7

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

2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide (PubChem CID 7717900) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
PubChem CID7717900
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H20ClNO3/c1-16(19-8-5-9-20(24)14-19)25-22(26)15-28-21-12-10-18(11-13-21)23(27)17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,25,26)/t16-/m0/s1
InChIKeyZBMSRKLRCUCBRT-INIZCTEOSA-N
XLogP4.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-propanoylphenoxy)acetamide
CID 7788222
ethyl 4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7471705
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-cyanophenoxy)acetamide
CID 7503511
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7515116
N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 46456558
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-phenylbenzoate
CID 7749846
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide (CID 7717900) is 2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide is C[C@H](NC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is ZBMSRKLRCUCBRT-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-16(19-8-5-9-20(24)14-19)25-22(26)15-28-21-12-10-18(11-13-21)23(27)17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,25,26)/t16-/m0/s1.
What are the key properties of 2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide?
2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 393.87 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 7717900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).