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

C20H21Cl2NO3 — CID 7640031

IUPAC2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-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-/m1/s1
InChIKeyADCYNBWDCNXCEX-CYBMUJFWSA-N
MW394.30 g/mol
LogP4.71
Rot. Bonds8

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

2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 7640031) 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-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID7640031
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-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-/m1/s1
InChIKeyADCYNBWDCNXCEX-CYBMUJFWSA-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

Analyze 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
3,5-dichloro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 43516130
2-(2-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4781197
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 2091272
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 2091273
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 25365035
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-chlorobenzoate
CID 2365167
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 7640031) is 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-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-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is ADCYNBWDCNXCEX-CYBMUJFWSA-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-/m1/s1.
What are the key properties of 2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-(2-acetyl-4,6-dichlorophenoxy)-N-[(2R)-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-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 7640031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).