N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide

C17H14Cl2N2O4 — CID 44562326

IUPACN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide
SMILESCOCc1cc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c2o1
InChIInChI=1S/C17H14Cl2N2O4/c1-23-8-9-5-11-10(3-4-14(24-2)16(11)25-9)17(22)21-15-12(18)6-20-7-13(15)19/h3-7H,8H2,1-2H3,(H,20,21,22)
InChIKeyXATXWWHMHQRKFB-UHFFFAOYSA-N
MW381.22 g/mol
LogP4.54
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide (PubChem CID 44562326) has the molecular formula C17H14Cl2N2O4 and a molecular weight of 381.22 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide
PubChem CID44562326
Molecular FormulaC17H14Cl2N2O4
Molecular Weight381.22 g/mol
Exact Mass380.03
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide
SMILESCOCc1cc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c2o1
InChIInChI=1S/C17H14Cl2N2O4/c1-23-8-9-5-11-10(3-4-14(24-2)16(11)25-9)17(22)21-15-12(18)6-20-7-13(15)19/h3-7H,8H2,1-2H3,(H,20,21,22)
InChIKeyXATXWWHMHQRKFB-UHFFFAOYSA-N
XLogP4.54
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide (CID 44562326) is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide is COCc1cc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c2o1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide?
The InChIKey is XATXWWHMHQRKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O4/c1-23-8-9-5-11-10(3-4-14(24-2)16(11)25-9)17(22)21-15-12(18)6-20-7-13(15)19/h3-7H,8H2,1-2H3,(H,20,21,22).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide has a molecular weight of 381.22 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide is sourced from PubChem (CID 44562326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).