5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide

C20H17ClN2O4 — CID 45154993

IUPAC5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)c(C)c2cc1Cl
InChIInChI=1S/C20H17ClN2O4/c1-9-6-17-13(8-14(9)21)10(2)18(27-17)20(25)22-12-4-5-16-15(7-12)23-19(24)11(3)26-16/h4-8,11H,1-3H3,(H,22,25)(H,23,24)
InChIKeyCSUKPVYHAQFRNK-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.67
Rot. Bonds2

About 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide

5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide (PubChem CID 45154993) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
PubChem CID45154993
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)c(C)c2cc1Cl
InChIInChI=1S/C20H17ClN2O4/c1-9-6-17-13(8-14(9)21)10(2)18(27-17)20(25)22-12-4-5-16-15(7-12)23-19(24)11(3)26-16/h4-8,11H,1-3H3,(H,22,25)(H,23,24)
InChIKeyCSUKPVYHAQFRNK-UHFFFAOYSA-N
XLogP4.67
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide (CID 45154993) is 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)c(C)c2cc1Cl.
What is the InChIKey of 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The InChIKey is CSUKPVYHAQFRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-9-6-17-13(8-14(9)21)10(2)18(27-17)20(25)22-12-4-5-16-15(7-12)23-19(24)11(3)26-16/h4-8,11H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,6-dimethyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 45154993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).