2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide

C14H19ClFNO2 — CID 154879414

IUPAC2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide
SMILESCC(O)CC(C)N(Cc1ccc(F)cc1)C(=O)CCl
InChIInChI=1S/C14H19ClFNO2/c1-10(7-11(2)18)17(14(19)8-15)9-12-3-5-13(16)6-4-12/h3-6,10-11,18H,7-9H2,1-2H3
InChIKeyCXTFUEPMEGSIJB-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.55
Rot. Bonds6

About 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide

2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide (PubChem CID 154879414) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide
PubChem CID154879414
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide
SMILESCC(O)CC(C)N(Cc1ccc(F)cc1)C(=O)CCl
InChIInChI=1S/C14H19ClFNO2/c1-10(7-11(2)18)17(14(19)8-15)9-12-3-5-13(16)6-4-12/h3-6,10-11,18H,7-9H2,1-2H3
InChIKeyCXTFUEPMEGSIJB-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)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 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide (CID 154879414) is 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide is CC(O)CC(C)N(Cc1ccc(F)cc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide?
The InChIKey is CXTFUEPMEGSIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-10(7-11(2)18)17(14(19)8-15)9-12-3-5-13(16)6-4-12/h3-6,10-11,18H,7-9H2,1-2H3.
What are the key properties of 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide?
2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide has a molecular weight of 287.76 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluorophenyl)methyl]-N-(4-hydroxypentan-2-yl)acetamide is sourced from PubChem (CID 154879414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).