3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide

C19H18FNO3 — CID 143141449

IUPAC3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1oc2ccc(OC(C)C)cc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-11(2)23-14-8-9-16-15(10-14)17(18(24-16)19(22)21-3)12-4-6-13(20)7-5-12/h4-11H,1-3H3,(H,21,22)
InChIKeyCCLCKWWYEOYOPQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.39
Rot. Bonds4

About 3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide

3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide (PubChem CID 143141449) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide
PubChem CID143141449
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1oc2ccc(OC(C)C)cc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-11(2)23-14-8-9-16-15(10-14)17(18(24-16)19(22)21-3)12-4-6-13(20)7-5-12/h4-11H,1-3H3,(H,21,22)
InChIKeyCCLCKWWYEOYOPQ-UHFFFAOYSA-N
XLogP4.39
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide (CID 143141449) is 3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide is CNC(=O)c1oc2ccc(OC(C)C)cc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide?
The InChIKey is CCLCKWWYEOYOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-11(2)23-14-8-9-16-15(10-14)17(18(24-16)19(22)21-3)12-4-6-13(20)7-5-12/h4-11H,1-3H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide?
3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 143141449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).