5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C17H15ClFNO2 — CID 18090415

IUPAC5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)C1Cc2cc(Cl)ccc2O1)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO2/c1-2-20(14-6-4-13(19)5-7-14)17(21)16-10-11-9-12(18)3-8-15(11)22-16/h3-9,16H,2,10H2,1H3
InChIKeyGVABDJKMYCBVEJ-UHFFFAOYSA-N
MW319.76 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18090415) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID18090415
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC Name5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)C1Cc2cc(Cl)ccc2O1)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFNO2/c1-2-20(14-6-4-13(19)5-7-14)17(21)16-10-11-9-12(18)3-8-15(11)22-16/h3-9,16H,2,10H2,1H3
InChIKeyGVABDJKMYCBVEJ-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 18090415) is 5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CCN(C(=O)C1Cc2cc(Cl)ccc2O1)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is GVABDJKMYCBVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c1-2-20(14-6-4-13(19)5-7-14)17(21)16-10-11-9-12(18)3-8-15(11)22-16/h3-9,16H,2,10H2,1H3.
What are the key properties of 5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 319.76 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18090415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).