N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide

C14H17F2NO2 — CID 71847757

IUPACN-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCc1c(F)cccc1F)N(CCO)C1CC1
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-3-13(16)11(12)6-7-14(19)17(8-9-18)10-4-5-10/h1-3,10,18H,4-9H2
InChIKeyZNOPERXLLDKGOK-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.88
Rot. Bonds6

About N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide

N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 71847757) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide
PubChem CID71847757
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC NameN-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCc1c(F)cccc1F)N(CCO)C1CC1
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-3-13(16)11(12)6-7-14(19)17(8-9-18)10-4-5-10/h1-3,10,18H,4-9H2
InChIKeyZNOPERXLLDKGOK-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide (CID 71847757) is N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide is O=C(CCc1c(F)cccc1F)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is ZNOPERXLLDKGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-12-2-1-3-13(16)11(12)6-7-14(19)17(8-9-18)10-4-5-10/h1-3,10,18H,4-9H2.
What are the key properties of N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide?
N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 269.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 71847757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).