N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide

C20H20ClNO3 — CID 23723433

IUPACN-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(CCO)Cc3ccccc3)c(C)c2c1
InChIInChI=1S/C20H20ClNO3/c1-13-10-16-14(2)18(25-19(16)17(21)11-13)20(24)22(8-9-23)12-15-6-4-3-5-7-15/h3-7,10-11,23H,8-9,12H2,1-2H3
InChIKeyZRXOTKGBQKLMOM-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.34
Rot. Bonds5

About N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide

N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 23723433) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID23723433
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC NameN-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)c2oc(C(=O)N(CCO)Cc3ccccc3)c(C)c2c1
InChIInChI=1S/C20H20ClNO3/c1-13-10-16-14(2)18(25-19(16)17(21)11-13)20(24)22(8-9-23)12-15-6-4-3-5-7-15/h3-7,10-11,23H,8-9,12H2,1-2H3
InChIKeyZRXOTKGBQKLMOM-UHFFFAOYSA-N
XLogP4.34
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 23723433) is N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide is Cc1cc(Cl)c2oc(C(=O)N(CCO)Cc3ccccc3)c(C)c2c1.
What is the InChIKey of N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is ZRXOTKGBQKLMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-13-10-16-14(2)18(25-19(16)17(21)11-13)20(24)22(8-9-23)12-15-6-4-3-5-7-15/h3-7,10-11,23H,8-9,12H2,1-2H3.
What are the key properties of N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide?
N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-chloro-N-(2-hydroxyethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23723433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).