2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide

C13H16F3NO4 — CID 94812199

IUPAC2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)COCC(F)(F)F)c(O)c1
InChIInChI=1S/C13H16F3NO4/c1-8(6-21-7-13(14,15)16)17-12(19)10-4-3-9(20-2)5-11(10)18/h3-5,8,18H,6-7H2,1-2H3,(H,17,19)/t8-/m1/s1
InChIKeyNTGBMGVKPBVFPE-MRVPVSSYSA-N
MW307.27 g/mol
LogP2.10
Rot. Bonds6

About 2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide

2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide (PubChem CID 94812199) has the molecular formula C13H16F3NO4 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
PubChem CID94812199
Molecular FormulaC13H16F3NO4
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC Name2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)COCC(F)(F)F)c(O)c1
InChIInChI=1S/C13H16F3NO4/c1-8(6-21-7-13(14,15)16)17-12(19)10-4-3-9(20-2)5-11(10)18/h3-5,8,18H,6-7H2,1-2H3,(H,17,19)/t8-/m1/s1
InChIKeyNTGBMGVKPBVFPE-MRVPVSSYSA-N
XLogP2.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 47931232
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 47456163
2-hydroxy-4-methoxy-N-pent-4-en-2-ylbenzamide
CID 113237673
5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 49029259
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 76934560
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-hydroxy-4-methoxybenzamide
CID 115595332
2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 97087681
3-hydroxy-4-nitro-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 95044749
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
N-(dicyclopropylmethyl)-2-hydroxy-4-methoxybenzamide
CID 60717998
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide (CID 94812199) is 2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide is COc1ccc(C(=O)N[C@H](C)COCC(F)(F)F)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide?
The InChIKey is NTGBMGVKPBVFPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16F3NO4/c1-8(6-21-7-13(14,15)16)17-12(19)10-4-3-9(20-2)5-11(10)18/h3-5,8,18H,6-7H2,1-2H3,(H,17,19)/t8-/m1/s1.
What are the key properties of 2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide?
2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide has a molecular weight of 307.27 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide is sourced from PubChem (CID 94812199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).