N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide

C13H17F2NO3 — CID 111424743

IUPACN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-8(2)12(18)16-7-11(17)9-3-5-10(6-4-9)19-13(14)15/h3-6,8,11,13,17H,7H2,1-2H3,(H,16,18)
InChIKeyNMCDHBDSXJODRN-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.09
Rot. Bonds6

About N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide (PubChem CID 111424743) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
PubChem CID111424743
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO3/c1-8(2)12(18)16-7-11(17)9-3-5-10(6-4-9)19-13(14)15/h3-6,8,11,13,17H,7H2,1-2H3,(H,16,18)
InChIKeyNMCDHBDSXJODRN-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
CID 43103925
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 111424709
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
CID 111424679
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide
CID 111424720
1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea
CID 111424952
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
CID 111424671
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458227
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethyl-2-methylguanidine;hydroiodide
CID 109494862

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide (CID 111424743) is N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide is CC(C)C(=O)NCC(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide?
The InChIKey is NMCDHBDSXJODRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-8(2)12(18)16-7-11(17)9-3-5-10(6-4-9)19-13(14)15/h3-6,8,11,13,17H,7H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide?
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide has a molecular weight of 273.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide is sourced from PubChem (CID 111424743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).