3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide

C14H18Cl2N2O2 — CID 95286380

IUPAC3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
SMILESCC(=O)NCCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-9(18-14(20)5-6-17-10(2)19)7-11-3-4-12(15)8-13(11)16/h3-4,8-9H,5-7H2,1-2H3,(H,17,19)(H,18,20)/t9-/m0/s1
InChIKeyGSKJCADPBKMEAV-VIFPVBQESA-N
MW317.22 g/mol
LogP2.57
Rot. Bonds6

About 3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide

3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide (PubChem CID 95286380) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
PubChem CID95286380
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide
SMILESCC(=O)NCCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-9(18-14(20)5-6-17-10(2)19)7-11-3-4-12(15)8-13(11)16/h3-4,8-9H,5-7H2,1-2H3,(H,17,19)(H,18,20)/t9-/m0/s1
InChIKeyGSKJCADPBKMEAV-VIFPVBQESA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 95690788
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119757977
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505680
2-(2,4-dichlorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43418876
3-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111720307
5-acetamido-N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-hydroxybenzamide
CID 86880347
3-[[N'-[(2,4-dichlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111197863
3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
CID 119503882

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide?
The IUPAC name of 3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide (CID 95286380) is 3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide?
The canonical SMILES for 3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide is CC(=O)NCCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide?
The InChIKey is GSKJCADPBKMEAV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9(18-14(20)5-6-17-10(2)19)7-11-3-4-12(15)8-13(11)16/h3-4,8-9H,5-7H2,1-2H3,(H,17,19)(H,18,20)/t9-/m0/s1.
What are the key properties of 3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide?
3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide has a molecular weight of 317.22 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]propanamide is sourced from PubChem (CID 95286380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).