5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide

C11H12ClF2NO2 — CID 104857981

IUPAC5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H12ClF2NO2/c1-7-2-3-8(12)4-9(7)10(17)15-5-11(13,14)6-16/h2-4,16H,5-6H2,1H3,(H,15,17)
InChIKeyOFBAWXGRKYRUQU-UHFFFAOYSA-N
MW263.67 g/mol
LogP2.01
Rot. Bonds4

About 5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide

5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide (PubChem CID 104857981) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide
PubChem CID104857981
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Name5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H12ClF2NO2/c1-7-2-3-8(12)4-9(7)10(17)15-5-11(13,14)6-16/h2-4,16H,5-6H2,1H3,(H,15,17)
InChIKeyOFBAWXGRKYRUQU-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide?
The IUPAC name of 5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide (CID 104857981) is 5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NCC(F)(F)CO.
What is the InChIKey of 5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide?
The InChIKey is OFBAWXGRKYRUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-7-2-3-8(12)4-9(7)10(17)15-5-11(13,14)6-16/h2-4,16H,5-6H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide?
5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide has a molecular weight of 263.67 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide is sourced from PubChem (CID 104857981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).