2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide

C9H8ClF2NO2 — CID 106502036

IUPAC2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide
SMILESO=C(NCC(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C9H8ClF2NO2/c10-7-2-1-5(14)3-6(7)9(15)13-4-8(11)12/h1-3,8,14H,4H2,(H,13,15)
InChIKeyDAIBFEHOOFEWBG-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.04
Rot. Bonds3

About 2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide

2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide (PubChem CID 106502036) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide
PubChem CID106502036
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Name2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide
SMILESO=C(NCC(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C9H8ClF2NO2/c10-7-2-1-5(14)3-6(7)9(15)13-4-8(11)12/h1-3,8,14H,4H2,(H,13,15)
InChIKeyDAIBFEHOOFEWBG-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide (CID 106502036) is 2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide is O=C(NCC(F)F)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide?
The InChIKey is DAIBFEHOOFEWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c10-7-2-1-5(14)3-6(7)9(15)13-4-8(11)12/h1-3,8,14H,4H2,(H,13,15).
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide?
2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide has a molecular weight of 235.62 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoroethyl)-5-hydroxybenzamide is sourced from PubChem (CID 106502036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).