3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide

C9H9Cl2NO2 — CID 95909610

IUPAC3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
SMILESO=C(CCCl)Nc1ccc(Cl)cc1O
InChIInChI=1S/C9H9Cl2NO2/c10-4-3-9(14)12-7-2-1-6(11)5-8(7)13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyOEXGSDKMVNERIB-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.61
Rot. Bonds3

About 3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide

3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide (PubChem CID 95909610) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
PubChem CID95909610
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
SMILESO=C(CCCl)Nc1ccc(Cl)cc1O
InChIInChI=1S/C9H9Cl2NO2/c10-4-3-9(14)12-7-2-1-6(11)5-8(7)13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyOEXGSDKMVNERIB-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-chloro-N-(4-chloro-2-hydroxyphenyl)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

N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide
CID 85469449
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
CID 120873520
N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636900
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
N-(4-chloro-2-hydroxyphenyl)prop-2-enamide
CID 137321991
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
CID 3509027
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
2-[3-(3-chloropropanoylamino)-4-hydroxyphenyl]acetic acid
CID 108764335

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide?
The IUPAC name of 3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide (CID 95909610) is 3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide is O=C(CCCl)Nc1ccc(Cl)cc1O.
What is the InChIKey of 3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide?
The InChIKey is OEXGSDKMVNERIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c10-4-3-9(14)12-7-2-1-6(11)5-8(7)13/h1-2,5,13H,3-4H2,(H,12,14).
What are the key properties of 3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide?
3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide has a molecular weight of 234.08 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide is sourced from PubChem (CID 95909610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).