7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide

C17H16FN3O2 — CID 24790531

IUPAC7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C(C)c2ccncn2)oc2c(F)cccc12
InChIInChI=1S/C17H16FN3O2/c1-10-12-5-4-6-13(18)16(12)23-15(10)17(22)21(3)11(2)14-7-8-19-9-20-14/h4-9,11H,1-3H3
InChIKeyQXXRKLKMEOOAOA-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.50
Rot. Bonds3

About 7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide

7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 24790531) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID24790531
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C(C)c2ccncn2)oc2c(F)cccc12
InChIInChI=1S/C17H16FN3O2/c1-10-12-5-4-6-13(18)16(12)23-15(10)17(22)21(3)11(2)14-7-8-19-9-20-14/h4-9,11H,1-3H3
InChIKeyQXXRKLKMEOOAOA-UHFFFAOYSA-N
XLogP3.50
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide (CID 24790531) is 7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)C(C)c2ccncn2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is QXXRKLKMEOOAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-10-12-5-4-6-13(18)16(12)23-15(10)17(22)21(3)11(2)14-7-8-19-9-20-14/h4-9,11H,1-3H3.
What are the key properties of 7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide?
7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,3-dimethyl-N-(1-pyrimidin-4-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24790531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).