3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide

C17H12N4O2 — CID 17393415

IUPAC3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide
SMILESNC(=O)c1cccc(Nc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C17H12N4O2/c18-16(22)10-4-3-5-11(8-10)21-17-15-14(19-9-20-17)12-6-1-2-7-13(12)23-15/h1-9H,(H2,18,22)(H,19,20,21)
InChIKeyUEAPSHQFYBVHHR-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.22
Rot. Bonds3

About 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide

3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide (PubChem CID 17393415) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide
PubChem CID17393415
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide
SMILESNC(=O)c1cccc(Nc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C17H12N4O2/c18-16(22)10-4-3-5-11(8-10)21-17-15-14(19-9-20-17)12-6-1-2-7-13(12)23-15/h1-9H,(H2,18,22)(H,19,20,21)
InChIKeyUEAPSHQFYBVHHR-UHFFFAOYSA-N
XLogP3.22
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide?
The IUPAC name of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide (CID 17393415) is 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide.
What is the SMILES notation for 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide?
The canonical SMILES for 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide is NC(=O)c1cccc(Nc2ncnc3c2oc2ccccc23)c1.
What is the InChIKey of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide?
The InChIKey is UEAPSHQFYBVHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-16(22)10-4-3-5-11(8-10)21-17-15-14(19-9-20-17)12-6-1-2-7-13(12)23-15/h1-9H,(H2,18,22)(H,19,20,21).
What are the key properties of 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide?
3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide has a molecular weight of 304.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)benzamide is sourced from PubChem (CID 17393415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).