N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide

C12H13F3N2O3 — CID 166316232

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide
SMILESNC(=O)C(O)CNC(=O)c1cccc(CC(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)5-7-2-1-3-8(4-7)11(20)17-6-9(18)10(16)19/h1-4,9,18H,5-6H2,(H2,16,19)(H,17,20)
InChIKeyOILWBGZESZPGMD-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.37
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide (PubChem CID 166316232) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide
PubChem CID166316232
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide
SMILESNC(=O)C(O)CNC(=O)c1cccc(CC(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)5-7-2-1-3-8(4-7)11(20)17-6-9(18)10(16)19/h1-4,9,18H,5-6H2,(H2,16,19)(H,17,20)
InChIKeyOILWBGZESZPGMD-UHFFFAOYSA-N
XLogP0.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2,2-trifluoroethyl)benzoic acid
CID 14087914
N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
CID 107261317
methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
CID 103879076
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 106166243
3-amino-1-[3-(2,2,2-trifluoroethyl)phenyl]propan-1-one
CID 117333697
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107362620
N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide
CID 106164507
(2S)-2-hydroxy-3-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 114006434
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide
CID 106164264
N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide
CID 114152583

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide (CID 166316232) is N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide is NC(=O)C(O)CNC(=O)c1cccc(CC(F)(F)F)c1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OILWBGZESZPGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)5-7-2-1-3-8(4-7)11(20)17-6-9(18)10(16)19/h1-4,9,18H,5-6H2,(H2,16,19)(H,17,20).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 290.24 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 166316232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).