4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine

C22H14ClN3O — CID 169094083

IUPAC4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESClc1ccc(-c2nc(Nc3ccccc3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C22H14ClN3O/c23-15-12-10-14(11-13-15)19-21-20(17-8-4-5-9-18(17)27-21)26-22(25-19)24-16-6-2-1-3-7-16/h1-13H,(H,24,25,26)
InChIKeyLRTCGIRTLWBVAF-UHFFFAOYSA-N
MW371.83 g/mol
LogP6.44
Rot. Bonds3

About 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine

4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 169094083) has the molecular formula C22H14ClN3O and a molecular weight of 371.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID169094083
Molecular FormulaC22H14ClN3O
Molecular Weight371.83 g/mol
Exact Mass371.08
IUPAC Name4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESClc1ccc(-c2nc(Nc3ccccc3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C22H14ClN3O/c23-15-12-10-14(11-13-15)19-21-20(17-8-4-5-9-18(17)27-21)26-22(25-19)24-16-6-2-1-3-7-16/h1-13H,(H,24,25,26)
InChIKeyLRTCGIRTLWBVAF-UHFFFAOYSA-N
XLogP6.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.83
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 169094083) is 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine is Clc1ccc(-c2nc(Nc3ccccc3)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is LRTCGIRTLWBVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O/c23-15-12-10-14(11-13-15)19-21-20(17-8-4-5-9-18(17)27-21)26-22(25-19)24-16-6-2-1-3-7-16/h1-13H,(H,24,25,26).
What are the key properties of 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 371.83 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 169094083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).