N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide

C10H12ClFN2O2 — CID 3888635

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide
SMILESO=C(CNCCO)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O2/c11-8-5-7(1-2-9(8)12)14-10(16)6-13-3-4-15/h1-2,5,13,15H,3-4,6H2,(H,14,16)
InChIKeyXAFFPVQUZIELRT-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.00
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide (PubChem CID 3888635) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide
PubChem CID3888635
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide
SMILESO=C(CNCCO)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O2/c11-8-5-7(1-2-9(8)12)14-10(16)6-13-3-4-15/h1-2,5,13,15H,3-4,6H2,(H,14,16)
InChIKeyXAFFPVQUZIELRT-UHFFFAOYSA-N
XLogP1.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide (CID 3888635) is N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide is O=C(CNCCO)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide?
The InChIKey is XAFFPVQUZIELRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c11-8-5-7(1-2-9(8)12)14-10(16)6-13-3-4-15/h1-2,5,13,15H,3-4,6H2,(H,14,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide has a molecular weight of 246.67 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2-hydroxyethylamino)acetamide is sourced from PubChem (CID 3888635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).