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

C18H13ClN2O — CID 52942446

IUPACN-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESClc1cccc(CNc2ccnc3oc4ccccc4c23)c1
InChIInChI=1S/C18H13ClN2O/c19-13-5-3-4-12(10-13)11-21-15-8-9-20-18-17(15)14-6-1-2-7-16(14)22-18/h1-10H,11H2,(H,20,21)
InChIKeyGSEZHGJQFPOIDD-UHFFFAOYSA-N
MW308.77 g/mol
LogP5.25
Rot. Bonds3

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

N-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine (PubChem CID 52942446) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine
PubChem CID52942446
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC NameN-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine
SMILESClc1cccc(CNc2ccnc3oc4ccccc4c23)c1
InChIInChI=1S/C18H13ClN2O/c19-13-5-3-4-12(10-13)11-21-15-8-9-20-18-17(15)14-6-1-2-7-16(14)22-18/h1-10H,11H2,(H,20,21)
InChIKeyGSEZHGJQFPOIDD-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-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine (CID 52942446) is N-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine is Clc1cccc(CNc2ccnc3oc4ccccc4c23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
The InChIKey is GSEZHGJQFPOIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-13-5-3-4-12(10-13)11-21-15-8-9-20-18-17(15)14-6-1-2-7-16(14)22-18/h1-10H,11H2,(H,20,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine?
N-[(3-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-[(3-chlorophenyl)methyl]-[1]benzofuro[2,3-b]pyridin-4-amine is sourced from PubChem (CID 52942446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).