N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C17H18F3NO3 — CID 99874005

IUPACN-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@](O)(CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C17H18F3NO3/c1-16(23,14-3-2-10-24-14)11-21-15(22)9-6-12-4-7-13(8-5-12)17(18,19)20/h2-5,7-8,10,23H,6,9,11H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyMNUOQPZMWQWHPU-INIZCTEOSA-N
MW341.33 g/mol
LogP3.25
Rot. Bonds6

About N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 99874005) has the molecular formula C17H18F3NO3 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID99874005
Molecular FormulaC17H18F3NO3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@](O)(CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C17H18F3NO3/c1-16(23,14-3-2-10-24-14)11-21-15(22)9-6-12-4-7-13(8-5-12)17(18,19)20/h2-5,7-8,10,23H,6,9,11H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyMNUOQPZMWQWHPU-INIZCTEOSA-N
XLogP3.25
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 99874005) is N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is C[C@](O)(CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MNUOQPZMWQWHPU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18F3NO3/c1-16(23,14-3-2-10-24-14)11-21-15(22)9-6-12-4-7-13(8-5-12)17(18,19)20/h2-5,7-8,10,23H,6,9,11H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 341.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 99874005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).