N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide

C11H11ClF3NO2 — CID 20792234

IUPACN-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)Nc1ccc(Cl)c(CCO)c1F
InChIInChI=1S/C11H11ClF3NO2/c1-11(14,15)10(18)16-8-3-2-7(12)6(4-5-17)9(8)13/h2-3,17H,4-5H2,1H3,(H,16,18)
InChIKeySRVDAKRMSHNLMX-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.61
Rot. Bonds4

About N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide

N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide (PubChem CID 20792234) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide
PubChem CID20792234
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC NameN-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide
SMILESCC(F)(F)C(=O)Nc1ccc(Cl)c(CCO)c1F
InChIInChI=1S/C11H11ClF3NO2/c1-11(14,15)10(18)16-8-3-2-7(12)6(4-5-17)9(8)13/h2-3,17H,4-5H2,1H3,(H,16,18)
InChIKeySRVDAKRMSHNLMX-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide?
The IUPAC name of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide (CID 20792234) is N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide?
The canonical SMILES for N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide is CC(F)(F)C(=O)Nc1ccc(Cl)c(CCO)c1F.
What is the InChIKey of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide?
The InChIKey is SRVDAKRMSHNLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c1-11(14,15)10(18)16-8-3-2-7(12)6(4-5-17)9(8)13/h2-3,17H,4-5H2,1H3,(H,16,18).
What are the key properties of N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide?
N-[4-chloro-2-fluoro-3-(2-hydroxyethyl)phenyl]-2,2-difluoropropanamide has a molecular weight of 281.66 g/mol, XLogP of 2.61, 4 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-difluoropropanamide is sourced from PubChem (CID 20792234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).