3-Ethoxy-N-pyridin-3-yl-benzamide

HCID 795012

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Basic information

CAS: 5752-85-2
Standard SMILES: CCOc1cccc(C(=O)Nc2cccnc2)c1
InChIKey: HDGNEWOZIATKFS-UHFFFAOYSA-N
Molecular formula: C14H14N2O2
Average molar mass: 242.27 g/mol
Monoisotopic mass: 242.10552769

Names & identifiers

Preferred name: 3-Ethoxy-N-pyridin-3-yl-benzamide
IUPAC: 3-ethoxy-N-pyridin-3-ylbenzamide

Names & synonyms

5752-85-23-ethoxy-N-3-pyridinylbenzamide3-ETHOXY-N-(PYRIDIN-3-YL)BENZAMIDE3-Ethoxy-N-pyridin-3-yl-benzamide3-ethoxy-N-pyridin-3-ylbenzamideCBMicro_005465Oprea1_635379Oprea1_702760MLS000108459CHEMBL1449993DTXSID40355263HMS2159N15

Show more names

HMS3309I21SMSF0007283AKOS000544905CB07551SMR000104416BIM-0005664.P001ST50734945

Database identifiers

CAS: 5752-85-2
PubChem CID: 795012
DTXSID: DTXSID40355263
ChEMBL: CHEMBL1449993

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 271

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