3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide

C14H19Cl2NO2 — CID 115869909

IUPAC3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCC(C)(CCO)NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-14(2,7-8-18)17-13(19)6-4-10-3-5-11(15)9-12(10)16/h3,5,9,18H,4,6-8H2,1-2H3,(H,17,19)
InChIKeyZKWDZQZSLIQNDQ-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.20
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide

3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide (PubChem CID 115869909) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
PubChem CID115869909
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCC(C)(CCO)NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-14(2,7-8-18)17-13(19)6-4-10-3-5-11(15)9-12(10)16/h3,5,9,18H,4,6-8H2,1-2H3,(H,17,19)
InChIKeyZKWDZQZSLIQNDQ-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,4-dichlorophenyl)propanamide
CID 119608340
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119522730
(2R)-2-[3-(2,4-dichlorophenyl)propanoylamino]-3,3-dimethylbutanoic acid
CID 103926441
N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
CID 115870187
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670662
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869894
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839553
3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764583
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113343226
3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 133225084

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide (CID 115869909) is 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide is CC(C)(CCO)NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The InChIKey is ZKWDZQZSLIQNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-14(2,7-8-18)17-13(19)6-4-10-3-5-11(15)9-12(10)16/h3,5,9,18H,4,6-8H2,1-2H3,(H,17,19).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide has a molecular weight of 304.22 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 115869909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).