2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C10H9ClF3NO3 — CID 106741546

IUPAC2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C10H9ClF3NO3/c11-7-2-1-5(16)3-6(7)9(18)15-4-8(17)10(12,13)14/h1-3,8,16-17H,4H2,(H,15,18)
InChIKeyWSHCZXMHNZKTPD-UHFFFAOYSA-N
MW283.63 g/mol
LogP1.70
Rot. Bonds3

About 2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 106741546) has the molecular formula C10H9ClF3NO3 and a molecular weight of 283.63 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID106741546
Molecular FormulaC10H9ClF3NO3
Molecular Weight283.63 g/mol
Exact Mass283.02
IUPAC Name2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C10H9ClF3NO3/c11-7-2-1-5(16)3-6(7)9(18)15-4-8(17)10(12,13)14/h1-3,8,16-17H,4H2,(H,15,18)
InChIKeyWSHCZXMHNZKTPD-UHFFFAOYSA-N
XLogP1.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.63
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 106741546) is 2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is O=C(NCC(O)C(F)(F)F)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is WSHCZXMHNZKTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO3/c11-7-2-1-5(16)3-6(7)9(18)15-4-8(17)10(12,13)14/h1-3,8,16-17H,4H2,(H,15,18).
What are the key properties of 2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 283.63 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 106741546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).