N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine

C18H13ClN2O — CID 50908680

IUPACN-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESClc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
InChIInChI=1S/C18H13ClN2O/c19-13-7-5-12(6-8-13)11-21-15-9-10-20-18-17(15)14-3-1-2-4-16(14)22-18/h1-10H,11H2,(H,20,21)
InChIKeyUAKYYEQJRKJUBT-UHFFFAOYSA-N
MW308.77 g/mol
LogP5.25
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine

N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine (PubChem CID 50908680) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine
PubChem CID50908680
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC NameN-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESClc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
InChIInChI=1S/C18H13ClN2O/c19-13-7-5-12(6-8-13)11-21-15-9-10-20-18-17(15)14-3-1-2-4-16(14)22-18/h1-10H,11H2,(H,20,21)
InChIKeyUAKYYEQJRKJUBT-UHFFFAOYSA-N
XLogP5.25
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.77
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine (CID 50908680) is N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine is Clc1ccc(CNc2ccnc3oc4ccccc4c23)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
The InChIKey is UAKYYEQJRKJUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-13-7-5-12(6-8-13)11-21-15-9-10-20-18-17(15)14-3-1-2-4-16(14)22-18/h1-10H,11H2,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine has a molecular weight of 308.77 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine is sourced from PubChem (CID 50908680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).