N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide

C19H18FNO3 — CID 23723873

IUPACN-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CCO)Cc2ccccc2)oc2c(F)cccc12
InChIInChI=1S/C19H18FNO3/c1-13-15-8-5-9-16(20)18(15)24-17(13)19(23)21(10-11-22)12-14-6-3-2-4-7-14/h2-9,22H,10-12H2,1H3
InChIKeyBRTAALCAUPFURJ-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.52
Rot. Bonds5

About N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide

N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 23723873) has the molecular formula C19H18FNO3 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID23723873
Molecular FormulaC19H18FNO3
Molecular Weight327.35 g/mol
Exact Mass327.13
IUPAC NameN-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CCO)Cc2ccccc2)oc2c(F)cccc12
InChIInChI=1S/C19H18FNO3/c1-13-15-8-5-9-16(20)18(15)24-17(13)19(23)21(10-11-22)12-14-6-3-2-4-7-14/h2-9,22H,10-12H2,1H3
InChIKeyBRTAALCAUPFURJ-UHFFFAOYSA-N
XLogP3.52
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 23723873) is N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(CCO)Cc2ccccc2)oc2c(F)cccc12.
What is the InChIKey of N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BRTAALCAUPFURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-13-15-8-5-9-16(20)18(15)24-17(13)19(23)21(10-11-22)12-14-6-3-2-4-7-14/h2-9,22H,10-12H2,1H3.
What are the key properties of N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23723873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).