N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide

C20H14ClF4NO2 — CID 22475325

IUPACN-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide
SMILESO=C(Nc1ccc(Cl)c(CCO)c1F)C(F)(F)c1ccc(F)c2ccccc12
InChIInChI=1S/C20H14ClF4NO2/c21-15-6-8-17(18(23)13(15)9-10-27)26-19(28)20(24,25)14-5-7-16(22)12-4-2-1-3-11(12)14/h1-8,27H,9-10H2,(H,26,28)
InChIKeyCMPRBOBYFVRBJI-UHFFFAOYSA-N
MW411.78 g/mol
LogP5.04
Rot. Bonds5

About N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide

N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide (PubChem CID 22475325) has the molecular formula C20H14ClF4NO2 and a molecular weight of 411.78 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide
PubChem CID22475325
Molecular FormulaC20H14ClF4NO2
Molecular Weight411.78 g/mol
Exact Mass411.06
IUPAC NameN-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide
SMILESO=C(Nc1ccc(Cl)c(CCO)c1F)C(F)(F)c1ccc(F)c2ccccc12
InChIInChI=1S/C20H14ClF4NO2/c21-15-6-8-17(18(23)13(15)9-10-27)26-19(28)20(24,25)14-5-7-16(22)12-4-2-1-3-11(12)14/h1-8,27H,9-10H2,(H,26,28)
InChIKeyCMPRBOBYFVRBJI-UHFFFAOYSA-N
XLogP5.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.78
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-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 N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide?
The IUPAC name of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide (CID 22475325) is N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide is O=C(Nc1ccc(Cl)c(CCO)c1F)C(F)(F)c1ccc(F)c2ccccc12.
What is the InChIKey of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide?
The InChIKey is CMPRBOBYFVRBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF4NO2/c21-15-6-8-17(18(23)13(15)9-10-27)26-19(28)20(24,25)14-5-7-16(22)12-4-2-1-3-11(12)14/h1-8,27H,9-10H2,(H,26,28).
What are the key properties of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide?
N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide has a molecular weight of 411.78 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoro-2-(4-fluoronaphthalen-1-yl)acetamide is sourced from PubChem (CID 22475325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).