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

C12H15Cl2NO2 — CID 110306883

IUPAC3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
SMILESC[C@@H](CO)NC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-8(7-16)15-12(17)5-3-9-2-4-10(13)11(14)6-9/h2,4,6,8,16H,3,5,7H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyLIVZXOQYUWNMBK-QMMMGPOBSA-N
MW276.16 g/mol
LogP2.42
Rot. Bonds5

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

3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide (PubChem CID 110306883) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
PubChem CID110306883
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
SMILESC[C@@H](CO)NC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-8(7-16)15-12(17)5-3-9-2-4-10(13)11(14)6-9/h2,4,6,8,16H,3,5,7H2,1H3,(H,15,17)/t8-/m0/s1
InChIKeyLIVZXOQYUWNMBK-QMMMGPOBSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide 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

3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418633
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775
2-[3-(3,4-dichlorophenyl)propanoylamino]propanoic acid
CID 119225556
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
3-(3,4-dichlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 133220730
3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 100598401
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758
3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 100597850
3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
CID 100597681
3-(3-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 107210300
3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027322

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide (CID 110306883) is 3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide is C[C@@H](CO)NC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide?
The InChIKey is LIVZXOQYUWNMBK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-8(7-16)15-12(17)5-3-9-2-4-10(13)11(14)6-9/h2,4,6,8,16H,3,5,7H2,1H3,(H,15,17)/t8-/m0/s1.
What are the key properties of 3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide?
3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide has a molecular weight of 276.16 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide is sourced from PubChem (CID 110306883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).