N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide

C17H15F3N2O2 — CID 114262654

IUPACN-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(CNc2ccc3c(c2)COC3)c1)C(F)(F)F
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)16(23)22-15-3-1-2-11(6-15)8-21-14-5-4-12-9-24-10-13(12)7-14/h1-7,21H,8-10H2,(H,22,23)
InChIKeyYMGYYODGBHZXOR-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.83
Rot. Bonds4

About N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide

N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 114262654) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID114262654
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(CNc2ccc3c(c2)COC3)c1)C(F)(F)F
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)16(23)22-15-3-1-2-11(6-15)8-21-14-5-4-12-9-24-10-13(12)7-14/h1-7,21H,8-10H2,(H,22,23)
InChIKeyYMGYYODGBHZXOR-UHFFFAOYSA-N
XLogP3.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide (CID 114262654) is N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1cccc(CNc2ccc3c(c2)COC3)c1)C(F)(F)F.
What is the InChIKey of N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is YMGYYODGBHZXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-17(19,20)16(23)22-15-3-1-2-11(6-15)8-21-14-5-4-12-9-24-10-13(12)7-14/h1-7,21H,8-10H2,(H,22,23).
What are the key properties of N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide?
N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 336.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 114262654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).