N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide

C20H21FN2O2 — CID 19064506

IUPACN-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide
SMILESCc1oc2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(C)C
InChIInChI=1S/C20H21FN2O2/c1-13-17(10-11-23(2)3)18-12-16(8-9-19(18)25-13)22-20(24)14-4-6-15(21)7-5-14/h4-9,12H,10-11H2,1-3H3,(H,22,24)
InChIKeyXXPRVKYECSDGSY-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.24
Rot. Bonds5

About N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide

N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide (PubChem CID 19064506) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide
PubChem CID19064506
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide
SMILESCc1oc2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(C)C
InChIInChI=1S/C20H21FN2O2/c1-13-17(10-11-23(2)3)18-12-16(8-9-19(18)25-13)22-20(24)14-4-6-15(21)7-5-14/h4-9,12H,10-11H2,1-3H3,(H,22,24)
InChIKeyXXPRVKYECSDGSY-UHFFFAOYSA-N
XLogP4.24
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide (CID 19064506) is N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide is Cc1oc2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(C)C.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide?
The InChIKey is XXPRVKYECSDGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-17(10-11-23(2)3)18-12-16(8-9-19(18)25-13)22-20(24)14-4-6-15(21)7-5-14/h4-9,12H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide?
N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide has a molecular weight of 340.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1-benzofuran-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 19064506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).