5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

C17H21BrN2O3 — CID 39947725

IUPAC5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1oc2ccc(Br)cc2c1C
InChIInChI=1S/C17H21BrN2O3/c1-5-20(6-2)15(21)10-19(4)17(22)16-11(3)13-9-12(18)7-8-14(13)23-16/h7-9H,5-6,10H2,1-4H3
InChIKeyQYPSKPLRPJNNTP-UHFFFAOYSA-N
MW381.27 g/mol
LogP3.44
Rot. Bonds5

About 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 39947725) has the molecular formula C17H21BrN2O3 and a molecular weight of 381.27 g/mol. Its IUPAC name is 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID39947725
Molecular FormulaC17H21BrN2O3
Molecular Weight381.27 g/mol
Exact Mass380.07
IUPAC Name5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1oc2ccc(Br)cc2c1C
InChIInChI=1S/C17H21BrN2O3/c1-5-20(6-2)15(21)10-19(4)17(22)16-11(3)13-9-12(18)7-8-14(13)23-16/h7-9H,5-6,10H2,1-4H3
InChIKeyQYPSKPLRPJNNTP-UHFFFAOYSA-N
XLogP3.44
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 39947725) is 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1oc2ccc(Br)cc2c1C.
What is the InChIKey of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is QYPSKPLRPJNNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O3/c1-5-20(6-2)15(21)10-19(4)17(22)16-11(3)13-9-12(18)7-8-14(13)23-16/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 381.27 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39947725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).