benzamide, N-2-pyrimidinyl-

Substructure search Find similar structures

Basic information

CAS: 13053-89-9
Standard SMILES: O=C(Nc1ncccn1)c1ccccc1
InChIKey: QBRCMHSAOZCHQH-UHFFFAOYSA-N
Molecular formula: C11H9N3O
Average molar mass: 199.21 g/mol
Monoisotopic mass: 199.07456192

Names & identifiers

Preferred name: benzamide, N-2-pyrimidinyl-
IUPAC: N-pyrimidin-2-ylbenzamide

Names & synonyms

N-(PYRIMIDIN-2-YL)BENZAMIDEbenzamide, N-2-pyrimidinyl-13053-89-9N-pyrimidin-2-ylbenzamide2-benzamido-pyrimidineN-2-Pyrimidinylbenzamidepyrimidine, 2-benzamido-SCHEMBL997872CHEMBL5181515DTXSID70348567AKOS003857832EBC-527297

Show more names

HS-3731InChI=1/C11H9N3O/c15-10(9-5-2-1-3-6-9)14-11-12-7-4-8-13-11/h1-8H,(H,12,13,14,15

Database identifiers

CAS: 13053-89-9
PubChem CID: 638481
DTXSID: DTXSID70348567
ChEMBL: CHEMBL5181515
Nikkaji: J2.935.498G

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 54.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 208

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…