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

C14H14F3NO3 — CID 44581189

IUPACN-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-4-1-9(2-5-10)3-6-12(19)18-11-7-8-21-13(11)20/h1-2,4-5,11H,3,6-8H2,(H,18,19)/t11-/m0/s1
InChIKeyRZEZMFGPIBIOGS-NSHDSACASA-N
MW301.26 g/mol
LogP2.07
Rot. Bonds4

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

N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 44581189) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID44581189
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-4-1-9(2-5-10)3-6-12(19)18-11-7-8-21-13(11)20/h1-2,4-5,11H,3,6-8H2,(H,18,19)/t11-/m0/s1
InChIKeyRZEZMFGPIBIOGS-NSHDSACASA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 44581189) is N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RZEZMFGPIBIOGS-NSHDSACASA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)10-4-1-9(2-5-10)3-6-12(19)18-11-7-8-21-13(11)20/h1-2,4-5,11H,3,6-8H2,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 301.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 44581189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).