N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

C19H18FNO3 — CID 166192164

IUPACN-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESCC(Cc1ccccc1F)NC(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C19H18FNO3/c1-12(10-13-6-2-5-9-16(13)20)21-18(22)11-17-14-7-3-4-8-15(14)19(23)24-17/h2-9,12,17H,10-11H2,1H3,(H,21,22)
InChIKeyRLWZYPCIWOKYGP-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.17
Rot. Bonds5

About N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (PubChem CID 166192164) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
PubChem CID166192164
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESCC(Cc1ccccc1F)NC(=O)CC1OC(=O)c2ccccc21
InChIInChI=1S/C19H18FNO3/c1-12(10-13-6-2-5-9-16(13)20)21-18(22)11-17-14-7-3-4-8-15(14)19(23)24-17/h2-9,12,17H,10-11H2,1H3,(H,21,22)
InChIKeyRLWZYPCIWOKYGP-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (CID 166192164) is N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is CC(Cc1ccccc1F)NC(=O)CC1OC(=O)c2ccccc21.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The InChIKey is RLWZYPCIWOKYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-12(10-13-6-2-5-9-16(13)20)21-18(22)11-17-14-7-3-4-8-15(14)19(23)24-17/h2-9,12,17H,10-11H2,1H3,(H,21,22).
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is sourced from PubChem (CID 166192164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).