N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide

C14H17F5N2O2 — CID 111496349

IUPACN-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESO=C(CCN(CCCO)CC(F)(F)F)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H17F5N2O2/c15-10-6-11(16)8-12(7-10)20-13(23)2-4-21(3-1-5-22)9-14(17,18)19/h6-8,22H,1-5,9H2,(H,20,23)
InChIKeyMUHSVJOHEHEQOR-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.54
Rot. Bonds8

About N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide

N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 111496349) has the molecular formula C14H17F5N2O2 and a molecular weight of 340.29 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID111496349
Molecular FormulaC14H17F5N2O2
Molecular Weight340.29 g/mol
Exact Mass340.12
IUPAC NameN-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESO=C(CCN(CCCO)CC(F)(F)F)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H17F5N2O2/c15-10-6-11(16)8-12(7-10)20-13(23)2-4-21(3-1-5-22)9-14(17,18)19/h6-8,22H,1-5,9H2,(H,20,23)
InChIKeyMUHSVJOHEHEQOR-UHFFFAOYSA-N
XLogP2.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111109944
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111109987
4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
N-(3,5-difluorophenyl)butanamide
CID 17271988
5-chloro-N-(3,5-difluorophenyl)pentanamide
CID 28733613
N-(3,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958059
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
CID 120871752
1-[5-fluoro-2-hydroxy-3-[[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 111672685
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 111022254

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide (CID 111496349) is N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide is O=C(CCN(CCCO)CC(F)(F)F)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is MUHSVJOHEHEQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N2O2/c15-10-6-11(16)8-12(7-10)20-13(23)2-4-21(3-1-5-22)9-14(17,18)19/h6-8,22H,1-5,9H2,(H,20,23).
What are the key properties of N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide?
N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 340.29 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 111496349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).