3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide

C15H21Cl2NO2 — CID 111447770

IUPAC3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
SMILESCC(O)CC(C)CNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO2/c1-10(7-11(2)19)9-18-15(20)6-4-12-3-5-13(16)8-14(12)17/h3,5,8,10-11,19H,4,6-7,9H2,1-2H3,(H,18,20)
InChIKeyRHNHMEKBDDFQRK-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.45
Rot. Bonds7

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

3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide (PubChem CID 111447770) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
PubChem CID111447770
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
SMILESCC(O)CC(C)CNC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO2/c1-10(7-11(2)19)9-18-15(20)6-4-12-3-5-13(16)8-14(12)17/h3,5,8,10-11,19H,4,6-7,9H2,1-2H3,(H,18,20)
InChIKeyRHNHMEKBDDFQRK-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)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-(2,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830392
3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447156
3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447050
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
4-(4-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447249
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
N-(4-cyclopropyl-2-hydroxybutyl)-3-(2,4-dichlorophenyl)propanamide
CID 166331353
5-[3-(2,4-dichlorophenyl)propanoylamino]-2-methylpentanoic acid
CID 104681872
3-(4-bromo-2-chlorophenyl)-N-(2-methylpropyl)propanamide
CID 172652070
N-(3-amino-2-methylpropyl)-3-(2-bromo-5-chlorophenyl)propanamide
CID 119995419
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-(4-hydroxy-2-methylpentyl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide (CID 111447770) is 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide is CC(O)CC(C)CNC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide?
The InChIKey is RHNHMEKBDDFQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-10(7-11(2)19)9-18-15(20)6-4-12-3-5-13(16)8-14(12)17/h3,5,8,10-11,19H,4,6-7,9H2,1-2H3,(H,18,20).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide?
3-(2,4-dichlorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide has a molecular weight of 318.24 g/mol, XLogP of 3.45, 7 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-methylpentyl)propanamide is sourced from PubChem (CID 111447770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).