3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide

C15H22Cl2N2O2 — CID 103839553

IUPAC3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
SMILESCN(C)CC(C)(O)CNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-15(21,10-19(2)3)9-18-14(20)7-5-11-4-6-12(16)8-13(11)17/h4,6,8,21H,5,7,9-10H2,1-3H3,(H,18,20)
InChIKeyWNDIWAZMRBCKFY-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.35
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide

3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide (PubChem CID 103839553) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
PubChem CID103839553
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
SMILESCN(C)CC(C)(O)CNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-15(21,10-19(2)3)9-18-14(20)7-5-11-4-6-12(16)8-13(11)17/h4,6,8,21H,5,7,9-10H2,1-3H3,(H,18,20)
InChIKeyWNDIWAZMRBCKFY-UHFFFAOYSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 103839500
3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 46578246
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 103839864
3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
CID 103840147
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86929314
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115869909
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173969
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide (CID 103839553) is 3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide is CN(C)CC(C)(O)CNC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
The InChIKey is WNDIWAZMRBCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-15(21,10-19(2)3)9-18-14(20)7-5-11-4-6-12(16)8-13(11)17/h4,6,8,21H,5,7,9-10H2,1-3H3,(H,18,20).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide?
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide has a molecular weight of 333.26 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide is sourced from PubChem (CID 103839553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).