2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide

C16H14F3NO2 — CID 15941657

IUPAC2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide
SMILESNC(=O)Cc1ccc(-c2ccc(C(O)C(F)F)cc2)c(F)c1
InChIInChI=1S/C16H14F3NO2/c17-13-7-9(8-14(20)21)1-6-12(13)10-2-4-11(5-3-10)15(22)16(18)19/h1-7,15-16,22H,8H2,(H2,20,21)
InChIKeyJJQWPCHPENQDCL-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.82
Rot. Bonds5

About 2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide

2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide (PubChem CID 15941657) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide
PubChem CID15941657
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide
SMILESNC(=O)Cc1ccc(-c2ccc(C(O)C(F)F)cc2)c(F)c1
InChIInChI=1S/C16H14F3NO2/c17-13-7-9(8-14(20)21)1-6-12(13)10-2-4-11(5-3-10)15(22)16(18)19/h1-7,15-16,22H,8H2,(H2,20,21)
InChIKeyJJQWPCHPENQDCL-UHFFFAOYSA-N
XLogP2.82
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide?
The IUPAC name of 2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide (CID 15941657) is 2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide.
What is the SMILES notation for 2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide?
The canonical SMILES for 2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide is NC(=O)Cc1ccc(-c2ccc(C(O)C(F)F)cc2)c(F)c1.
What is the InChIKey of 2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide?
The InChIKey is JJQWPCHPENQDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-13-7-9(8-14(20)21)1-6-12(13)10-2-4-11(5-3-10)15(22)16(18)19/h1-7,15-16,22H,8H2,(H2,20,21).
What are the key properties of 2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide?
2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide has a molecular weight of 309.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-3-fluorophenyl]acetamide is sourced from PubChem (CID 15941657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).