4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide

C16H15F4NO3 — CID 110883209

IUPAC4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
SMILESCc1ccc(C(O)(CC(=O)NCc2ccccc2F)C(F)(F)F)o1
InChIInChI=1S/C16H15F4NO3/c1-10-6-7-13(24-10)15(23,16(18,19)20)8-14(22)21-9-11-4-2-3-5-12(11)17/h2-7,23H,8-9H2,1H3,(H,21,22)
InChIKeyAPFPUSWBGBARGO-UHFFFAOYSA-N
MW345.29 g/mol
LogP3.18
Rot. Bonds5

About 4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide

4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide (PubChem CID 110883209) has the molecular formula C16H15F4NO3 and a molecular weight of 345.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
PubChem CID110883209
Molecular FormulaC16H15F4NO3
Molecular Weight345.29 g/mol
Exact Mass345.10
IUPAC Name4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
SMILESCc1ccc(C(O)(CC(=O)NCc2ccccc2F)C(F)(F)F)o1
InChIInChI=1S/C16H15F4NO3/c1-10-6-7-13(24-10)15(23,16(18,19)20)8-14(22)21-9-11-4-2-3-5-12(11)17/h2-7,23H,8-9H2,1H3,(H,21,22)
InChIKeyAPFPUSWBGBARGO-UHFFFAOYSA-N
XLogP3.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 110883200
4,4,4-trifluoro-N-(4-fluorophenyl)-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
CID 110883224
4-(2-fluorophenyl)-N-[4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]piperazine-1-carboxamide
CID 42954471
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
N-[(2-chlorophenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47801553
N-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)benzamide
CID 71690177
(3S)-N-[(2-chlorophenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9079138
N-[(2-fluorophenyl)methyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109020837
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604909
pyridin-2-ylmethyl (3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanoate
CID 95633577
ethyl 2,2-difluoro-3-[(2-fluorophenyl)methylamino]-3-oxopropanoate
CID 112743058

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide (CID 110883209) is 4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide is Cc1ccc(C(O)(CC(=O)NCc2ccccc2F)C(F)(F)F)o1.
What is the InChIKey of 4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The InChIKey is APFPUSWBGBARGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO3/c1-10-6-7-13(24-10)15(23,16(18,19)20)8-14(22)21-9-11-4-2-3-5-12(11)17/h2-7,23H,8-9H2,1H3,(H,21,22).
What are the key properties of 4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide has a molecular weight of 345.29 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(2-fluorophenyl)methyl]-3-hydroxy-3-(5-methylfuran-2-yl)butanamide is sourced from PubChem (CID 110883209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).