N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide

C12H13F2NO2 — CID 134966910

IUPACN-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide
SMILESCCCN(C=C(F)F)C(=O)c1ccccc1O
InChIInChI=1S/C12H13F2NO2/c1-2-7-15(8-11(13)14)12(17)9-5-3-4-6-10(9)16/h3-6,8,16H,2,7H2,1H3
InChIKeyUPYQWQKFYBKHBY-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.98
Rot. Bonds4

About N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide

N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide (PubChem CID 134966910) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide
PubChem CID134966910
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC NameN-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide
SMILESCCCN(C=C(F)F)C(=O)c1ccccc1O
InChIInChI=1S/C12H13F2NO2/c1-2-7-15(8-11(13)14)12(17)9-5-3-4-6-10(9)16/h3-6,8,16H,2,7H2,1H3
InChIKeyUPYQWQKFYBKHBY-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide?
The IUPAC name of N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide (CID 134966910) is N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide.
What is the SMILES notation for N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide?
The canonical SMILES for N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide is CCCN(C=C(F)F)C(=O)c1ccccc1O.
What is the InChIKey of N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide?
The InChIKey is UPYQWQKFYBKHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-2-7-15(8-11(13)14)12(17)9-5-3-4-6-10(9)16/h3-6,8,16H,2,7H2,1H3.
What are the key properties of N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide?
N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide has a molecular weight of 241.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethenyl)-2-hydroxy-N-propylbenzamide is sourced from PubChem (CID 134966910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).