2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C11H9ClF3NO2 — CID 106213642

IUPAC2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cc(O)ccc1Cl
InChIInChI=1S/C11H9ClF3NO2/c12-8-2-1-6(17)5-7(8)9(18)16-10(3-4-10)11(13,14)15/h1-2,5,17H,3-4H2,(H,16,18)
InChIKeyNESQZSZKANRQTE-UHFFFAOYSA-N
MW279.64 g/mol
LogP2.87
Rot. Bonds2

About 2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide

2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106213642) has the molecular formula C11H9ClF3NO2 and a molecular weight of 279.64 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106213642
Molecular FormulaC11H9ClF3NO2
Molecular Weight279.64 g/mol
Exact Mass279.03
IUPAC Name2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cc(O)ccc1Cl
InChIInChI=1S/C11H9ClF3NO2/c12-8-2-1-6(17)5-7(8)9(18)16-10(3-4-10)11(13,14)15/h1-2,5,17H,3-4H2,(H,16,18)
InChIKeyNESQZSZKANRQTE-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.64
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106213642) is 2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide is O=C(NC1(C(F)(F)F)CC1)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is NESQZSZKANRQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO2/c12-8-2-1-6(17)5-7(8)9(18)16-10(3-4-10)11(13,14)15/h1-2,5,17H,3-4H2,(H,16,18).
What are the key properties of 2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 279.64 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106213642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).