2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide

C13H17F3N2O3 — CID 106187310

IUPAC2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide
SMILESCOCC(CO)NCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-21-8-11(7-19)17-6-9-3-2-4-10(5-9)18-12(20)13(14,15)16/h2-5,11,17,19H,6-8H2,1H3,(H,18,20)
InChIKeyYYTVAWVETBYKQR-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.28
Rot. Bonds7

About 2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide

2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide (PubChem CID 106187310) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide
PubChem CID106187310
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide
SMILESCOCC(CO)NCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-21-8-11(7-19)17-6-9-3-2-4-10(5-9)18-12(20)13(14,15)16/h2-5,11,17,19H,6-8H2,1H3,(H,18,20)
InChIKeyYYTVAWVETBYKQR-UHFFFAOYSA-N
XLogP1.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1,3-dihydroxypropan-2-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 65312736
3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 106191012
2,2,2-trifluoro-N-[3-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenyl]acetamide
CID 114010222
2,2,2-trifluoro-N-[3-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 114615567
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 60999621
1-(1-hydroxy-3-methoxypropan-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 106184189
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225288
2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide
CID 82996693
[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
CID 115717750

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide (CID 106187310) is 2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide is COCC(CO)NCc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide?
The InChIKey is YYTVAWVETBYKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-21-8-11(7-19)17-6-9-3-2-4-10(5-9)18-12(20)13(14,15)16/h2-5,11,17,19H,6-8H2,1H3,(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide?
2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide has a molecular weight of 306.28 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 106187310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).