3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide

C23H18N4O2 — CID 101494289

IUPAC3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide
SMILESNC(=O)c1cccc(Oc2cnc(Nc3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C23H18N4O2/c24-22(28)17-10-7-13-19(14-17)29-20-15-25-23(26-18-11-5-2-6-12-18)27-21(20)16-8-3-1-4-9-16/h1-15H,(H2,24,28)(H,25,26,27)
InChIKeyUHHZIQRUWLOSIB-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.78
Rot. Bonds6

About 3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide

3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide (PubChem CID 101494289) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide.

Molecular Properties

Compound Name3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide
PubChem CID101494289
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide
SMILESNC(=O)c1cccc(Oc2cnc(Nc3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C23H18N4O2/c24-22(28)17-10-7-13-19(14-17)29-20-15-25-23(26-18-11-5-2-6-12-18)27-21(20)16-8-3-1-4-9-16/h1-15H,(H2,24,28)(H,25,26,27)
InChIKeyUHHZIQRUWLOSIB-UHFFFAOYSA-N
XLogP4.78
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide?
The IUPAC name of 3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide (CID 101494289) is 3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide.
What is the SMILES notation for 3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide?
The canonical SMILES for 3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide is NC(=O)c1cccc(Oc2cnc(Nc3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of 3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide?
The InChIKey is UHHZIQRUWLOSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c24-22(28)17-10-7-13-19(14-17)29-20-15-25-23(26-18-11-5-2-6-12-18)27-21(20)16-8-3-1-4-9-16/h1-15H,(H2,24,28)(H,25,26,27).
What are the key properties of 3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide?
3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide has a molecular weight of 382.42 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-4-phenylpyrimidin-5-yl)oxybenzamide is sourced from PubChem (CID 101494289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).