2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide

C17H17Cl2NO — CID 9302274

IUPAC2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NO/c1-12(13-5-3-2-4-6-13)11-20-17(21)9-14-7-8-15(18)10-16(14)19/h2-8,10,12H,9,11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyKEDKNIJREPGZLT-GFCCVEGCSA-N
MW322.24 g/mol
LogP4.46
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide

2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 9302274) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID9302274
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NO/c1-12(13-5-3-2-4-6-13)11-20-17(21)9-14-7-8-15(18)10-16(14)19/h2-8,10,12H,9,11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyKEDKNIJREPGZLT-GFCCVEGCSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 62675142
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470
(2S)-3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 114006523
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2,5-dichlorobenzoate
CID 7723030
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133189363
4-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 80538312
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
CID 9427363
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide (CID 9302274) is 2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide is C[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is KEDKNIJREPGZLT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-12(13-5-3-2-4-6-13)11-20-17(21)9-14-7-8-15(18)10-16(14)19/h2-8,10,12H,9,11H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide?
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 322.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 9302274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).