7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine

C21H21Cl2NO3 — CID 24958044

IUPAC7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine
SMILESCOc1ccc2c(NCc3c(Cl)cccc3Cl)coc2c1OC1CCCC1
InChIInChI=1S/C21H21Cl2NO3/c1-25-19-10-9-14-18(24-11-15-16(22)7-4-8-17(15)23)12-26-20(14)21(19)27-13-5-2-3-6-13/h4,7-10,12-13,24H,2-3,5-6,11H2,1H3
InChIKeyPLZWYMKRPJOZML-UHFFFAOYSA-N
MW406.31 g/mol
LogP6.68
Rot. Bonds6

About 7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine

7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine (PubChem CID 24958044) has the molecular formula C21H21Cl2NO3 and a molecular weight of 406.31 g/mol. Its IUPAC name is 7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine.

Molecular Properties

Compound Name7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine
PubChem CID24958044
Molecular FormulaC21H21Cl2NO3
Molecular Weight406.31 g/mol
Exact Mass405.09
IUPAC Name7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine
SMILESCOc1ccc2c(NCc3c(Cl)cccc3Cl)coc2c1OC1CCCC1
InChIInChI=1S/C21H21Cl2NO3/c1-25-19-10-9-14-18(24-11-15-16(22)7-4-8-17(15)23)12-26-20(14)21(19)27-13-5-2-3-6-13/h4,7-10,12-13,24H,2-3,5-6,11H2,1H3
InChIKeyPLZWYMKRPJOZML-UHFFFAOYSA-N
XLogP6.68
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.31
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine?
The IUPAC name of 7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine (CID 24958044) is 7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine.
What is the SMILES notation for 7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine?
The canonical SMILES for 7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine is COc1ccc2c(NCc3c(Cl)cccc3Cl)coc2c1OC1CCCC1.
What is the InChIKey of 7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine?
The InChIKey is PLZWYMKRPJOZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2NO3/c1-25-19-10-9-14-18(24-11-15-16(22)7-4-8-17(15)23)12-26-20(14)21(19)27-13-5-2-3-6-13/h4,7-10,12-13,24H,2-3,5-6,11H2,1H3.
What are the key properties of 7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine?
7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine has a molecular weight of 406.31 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyloxy-N-[(2,6-dichlorophenyl)methyl]-6-methoxy-1-benzofuran-3-amine is sourced from PubChem (CID 24958044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).