2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide

C23H28ClNO4 — CID 110167508

IUPAC2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide
SMILESCOc1cc(C(=O)N(CCO)C(C)C)cc2c1OC(C)(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C23H28ClNO4/c1-15(2)25(9-10-26)22(27)17-11-18-14-23(3,29-21(18)20(12-17)28-4)13-16-5-7-19(24)8-6-16/h5-8,11-12,15,26H,9-10,13-14H2,1-4H3
InChIKeyQNWXASRTYDWUDG-UHFFFAOYSA-N
MW417.93 g/mol
LogP4.13
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide

2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide (PubChem CID 110167508) has the molecular formula C23H28ClNO4 and a molecular weight of 417.93 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide
PubChem CID110167508
Molecular FormulaC23H28ClNO4
Molecular Weight417.93 g/mol
Exact Mass417.17
IUPAC Name2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide
SMILESCOc1cc(C(=O)N(CCO)C(C)C)cc2c1OC(C)(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C23H28ClNO4/c1-15(2)25(9-10-26)22(27)17-11-18-14-23(3,29-21(18)20(12-17)28-4)13-16-5-7-19(24)8-6-16/h5-8,11-12,15,26H,9-10,13-14H2,1-4H3
InChIKeyQNWXASRTYDWUDG-UHFFFAOYSA-N
XLogP4.13
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.93
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide (CID 110167508) is 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide is COc1cc(C(=O)N(CCO)C(C)C)cc2c1OC(C)(Cc1ccc(Cl)cc1)C2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide?
The InChIKey is QNWXASRTYDWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO4/c1-15(2)25(9-10-26)22(27)17-11-18-14-23(3,29-21(18)20(12-17)28-4)13-16-5-7-19(24)8-6-16/h5-8,11-12,15,26H,9-10,13-14H2,1-4H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide?
2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide has a molecular weight of 417.93 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-N-propan-2-yl-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 110167508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).