2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide

C20H21Cl2NO3 — CID 7640030

IUPAC2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C20H21Cl2NO3/c1-13(8-9-15-6-4-3-5-7-15)23-19(25)12-26-20-17(14(2)24)10-16(21)11-18(20)22/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,23,25)/t13-/m0/s1
InChIKeyADCYNBWDCNXCEX-ZDUSSCGKSA-N
MW394.30 g/mol
LogP4.71
Rot. Bonds8

About 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 7640030) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID7640030
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C20H21Cl2NO3/c1-13(8-9-15-6-4-3-5-7-15)23-19(25)12-26-20-17(14(2)24)10-16(21)11-18(20)22/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,23,25)/t13-/m0/s1
InChIKeyADCYNBWDCNXCEX-ZDUSSCGKSA-N
XLogP4.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 7640030) is 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide is CC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is ADCYNBWDCNXCEX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-13(8-9-15-6-4-3-5-7-15)23-19(25)12-26-20-17(14(2)24)10-16(21)11-18(20)22/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,23,25)/t13-/m0/s1.
What are the key properties of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 394.30 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 7640030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).