N-(2,5-dichlorophenyl)-3-hydroxypropanamide

C9H9Cl2NO2 — CID 43558723

IUPACN-(2,5-dichlorophenyl)-3-hydroxypropanamide
SMILESO=C(CCO)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H9Cl2NO2/c10-6-1-2-7(11)8(5-6)12-9(14)3-4-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyXURJFXSXRYEQJD-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.31
Rot. Bonds3

About N-(2,5-dichlorophenyl)-3-hydroxypropanamide

N-(2,5-dichlorophenyl)-3-hydroxypropanamide (PubChem CID 43558723) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-hydroxypropanamide
PubChem CID43558723
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC NameN-(2,5-dichlorophenyl)-3-hydroxypropanamide
SMILESO=C(CCO)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H9Cl2NO2/c10-6-1-2-7(11)8(5-6)12-9(14)3-4-13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyXURJFXSXRYEQJD-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,5-dichlorophenyl)-3-hydroxypropanamide 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

N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112511
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
CID 109021928
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide
CID 109012904
2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-hydroxypropanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-hydroxypropanamide (CID 43558723) is N-(2,5-dichlorophenyl)-3-hydroxypropanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-hydroxypropanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-hydroxypropanamide is O=C(CCO)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-hydroxypropanamide?
The InChIKey is XURJFXSXRYEQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c10-6-1-2-7(11)8(5-6)12-9(14)3-4-13/h1-2,5,13H,3-4H2,(H,12,14).
What are the key properties of N-(2,5-dichlorophenyl)-3-hydroxypropanamide?
N-(2,5-dichlorophenyl)-3-hydroxypropanamide has a molecular weight of 234.08 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 43558723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).