N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

C19H18F3NO3 — CID 45234959

IUPACN-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1
InChIInChI=1S/C19H18F3NO3/c1-2-18(24)23-11-16-10-14-8-13(6-7-17(14)25-16)12-4-3-5-15(9-12)26-19(20,21)22/h3-9,16H,2,10-11H2,1H3,(H,23,24)
InChIKeyRHSADRDYGLRMNI-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.08
Rot. Bonds5

About N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide

N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (PubChem CID 45234959) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
PubChem CID45234959
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC NameN-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
SMILESCCC(=O)NCC1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1
InChIInChI=1S/C19H18F3NO3/c1-2-18(24)23-11-16-10-14-8-13(6-7-17(14)25-16)12-4-3-5-15(9-12)26-19(20,21)22/h3-9,16H,2,10-11H2,1H3,(H,23,24)
InChIKeyRHSADRDYGLRMNI-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide (CID 45234959) is N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is CCC(=O)NCC1Cc2cc(-c3cccc(OC(F)(F)F)c3)ccc2O1.
What is the InChIKey of N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
The InChIKey is RHSADRDYGLRMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-2-18(24)23-11-16-10-14-8-13(6-7-17(14)25-16)12-4-3-5-15(9-12)26-19(20,21)22/h3-9,16H,2,10-11H2,1H3,(H,23,24).
What are the key properties of N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide?
N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide has a molecular weight of 365.35 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide is sourced from PubChem (CID 45234959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).