2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C13H15F3N2O3 — CID 103755895

IUPAC2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCC(=O)N(C)c1ccccc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-8(19)18(2)10-6-4-3-5-9(10)12(21)17-7-11(20)13(14,15)16/h3-6,11,20H,7H2,1-2H3,(H,17,21)
InChIKeyFKKVRMFTULYUGY-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.32
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103755895) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103755895
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCC(=O)N(C)c1ccccc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-8(19)18(2)10-6-4-3-5-9(10)12(21)17-7-11(20)13(14,15)16/h3-6,11,20H,7H2,1-2H3,(H,17,21)
InChIKeyFKKVRMFTULYUGY-UHFFFAOYSA-N
XLogP1.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
CID 103958098
2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)benzamide
CID 115700978
2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
CID 115703920
2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103820494
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340040
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
1-[[[2-[acetyl(methyl)amino]benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449575
(2S,3R)-2-[[2-[acetyl(methyl)amino]benzoyl]amino]-3-hydroxybutanoic acid
CID 104964612
2-[[2-[acetyl(methyl)amino]benzoyl]amino]butanoic acid
CID 43469297
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide
CID 103726174

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103755895) is 2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is CC(=O)N(C)c1ccccc1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is FKKVRMFTULYUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-8(19)18(2)10-6-4-3-5-9(10)12(21)17-7-11(20)13(14,15)16/h3-6,11,20H,7H2,1-2H3,(H,17,21).
What are the key properties of 2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 304.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103755895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).