N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide

C16H16F3NO3 — CID 99872611

IUPACN-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
SMILESC[C@@](O)(CNC(=O)c1cccc(C(F)(F)F)c1)Cc1ccco1
InChIInChI=1S/C16H16F3NO3/c1-15(22,9-13-6-3-7-23-13)10-20-14(21)11-4-2-5-12(8-11)16(17,18)19/h2-8,22H,9-10H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyJJAZSEPOYKPYMN-HNNXBMFYSA-N
MW327.30 g/mol
LogP3.02
Rot. Bonds5

About N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide

N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide (PubChem CID 99872611) has the molecular formula C16H16F3NO3 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
PubChem CID99872611
Molecular FormulaC16H16F3NO3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC NameN-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
SMILESC[C@@](O)(CNC(=O)c1cccc(C(F)(F)F)c1)Cc1ccco1
InChIInChI=1S/C16H16F3NO3/c1-15(22,9-13-6-3-7-23-13)10-20-14(21)11-4-2-5-12(8-11)16(17,18)19/h2-8,22H,9-10H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyJJAZSEPOYKPYMN-HNNXBMFYSA-N
XLogP3.02
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90605052
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate
CID 99872592
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
4-(dimethylamino)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90604997
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-methyl-4-nitrobenzamide
CID 90605026
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
CID 121085461
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90605173
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide (CID 99872611) is N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide is C[C@@](O)(CNC(=O)c1cccc(C(F)(F)F)c1)Cc1ccco1.
What is the InChIKey of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JJAZSEPOYKPYMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16F3NO3/c1-15(22,9-13-6-3-7-23-13)10-20-14(21)11-4-2-5-12(8-11)16(17,18)19/h2-8,22H,9-10H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide?
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide has a molecular weight of 327.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 99872611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).