2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide

C20H22ClNO3 — CID 7167774

IUPAC2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C20H22ClNO3/c1-14(8-9-16-6-4-3-5-7-16)22-20(24)13-25-19-11-10-17(21)12-18(19)15(2)23/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyGPJPGNMRDZJHIJ-AWEZNQCLSA-N
MW359.85 g/mol
LogP4.06
Rot. Bonds8

About 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 7167774) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID7167774
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C20H22ClNO3/c1-14(8-9-16-6-4-3-5-7-16)22-20(24)13-25-19-11-10-17(21)12-18(19)15(2)23/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyGPJPGNMRDZJHIJ-AWEZNQCLSA-N
XLogP4.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7640031
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7167691
2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 7167630
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 25365035
2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4781197
methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate
CID 17438151
2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7820162
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-chlorobenzoate
CID 2365167
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
methyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-5-chlorobenzoate
CID 94172138

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 7167774) is 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide is CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is GPJPGNMRDZJHIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-14(8-9-16-6-4-3-5-7-16)22-20(24)13-25-19-11-10-17(21)12-18(19)15(2)23/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 359.85 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 7167774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).