7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C18H19BrN2O3 — CID 139269101

IUPAC7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(Br)c2c(c1)CC(C)O2
InChIInChI=1S/C18H19BrN2O3/c1-9-4-10(2)21-18(23)14(9)8-20-17(22)13-6-12-5-11(3)24-16(12)15(19)7-13/h4,6-7,11,14H,5,8H2,1-3H3,(H,20,22)
InChIKeyXZFHOCVIZDLGGJ-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.07
Rot. Bonds3

About 7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 139269101) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID139269101
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(Br)c2c(c1)CC(C)O2
InChIInChI=1S/C18H19BrN2O3/c1-9-4-10(2)21-18(23)14(9)8-20-17(22)13-6-12-5-11(3)24-16(12)15(19)7-13/h4,6-7,11,14H,5,8H2,1-3H3,(H,20,22)
InChIKeyXZFHOCVIZDLGGJ-UHFFFAOYSA-N
XLogP3.07
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of 7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 139269101) is 7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for 7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for 7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(Br)c2c(c1)CC(C)O2.
What is the InChIKey of 7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is XZFHOCVIZDLGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-9-4-10(2)21-18(23)14(9)8-20-17(22)13-6-12-5-11(3)24-16(12)15(19)7-13/h4,6-7,11,14H,5,8H2,1-3H3,(H,20,22).
What are the key properties of 7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 139269101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).