N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide

C17H14FNO2 — CID 1244301

IUPACN-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2F)oc2ccccc12
InChIInChI=1S/C17H14FNO2/c1-11-13-7-3-5-9-15(13)21-16(11)17(20)19-10-12-6-2-4-8-14(12)18/h2-9H,10H2,1H3,(H,19,20)
InChIKeyWXPUIELHLJLLEF-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.81
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide

N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 1244301) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID1244301
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC NameN-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2F)oc2ccccc12
InChIInChI=1S/C17H14FNO2/c1-11-13-7-3-5-9-15(13)21-16(11)17(20)19-10-12-6-2-4-8-14(12)18/h2-9H,10H2,1H3,(H,19,20)
InChIKeyWXPUIELHLJLLEF-UHFFFAOYSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide (CID 1244301) is N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccccc2F)oc2ccccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is WXPUIELHLJLLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-11-13-7-3-5-9-15(13)21-16(11)17(20)19-10-12-6-2-4-8-14(12)18/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1244301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).