N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide

C17H16F3NO3 — CID 121085461

IUPACN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)(c1ccco1)C1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)13-4-1-3-11(9-13)15(22)21-10-16(23,12-6-7-12)14-5-2-8-24-14/h1-5,8-9,12,23H,6-7,10H2,(H,21,22)
InChIKeyVLHCRYSRQHZGEX-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.33
Rot. Bonds5

About N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide (PubChem CID 121085461) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
PubChem CID121085461
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)(c1ccco1)C1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)13-4-1-3-11(9-13)15(22)21-10-16(23,12-6-7-12)14-5-2-8-24-14/h1-5,8-9,12,23H,6-7,10H2,(H,21,22)
InChIKeyVLHCRYSRQHZGEX-UHFFFAOYSA-N
XLogP3.33
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085471
4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
CID 119101115
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121085486
N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-(trifluoromethyl)benzamide
CID 99872611
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
CID 71781476
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97038547
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-fluorophenyl)oxamide
CID 121085578
N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 71781543
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
CID 95982310

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide (CID 121085461) is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide is O=C(NCC(O)(c1ccco1)C1CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VLHCRYSRQHZGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c18-17(19,20)13-4-1-3-11(9-13)15(22)21-10-16(23,12-6-7-12)14-5-2-8-24-14/h1-5,8-9,12,23H,6-7,10H2,(H,21,22).
What are the key properties of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide?
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 339.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 121085461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).