3-[(4-cyanophenyl)methoxy]benzamide

C15H12N2O2 — CID 18354600

IUPAC3-[(4-cyanophenyl)methoxy]benzamide
SMILESN#Cc1ccc(COc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C15H12N2O2/c16-9-11-4-6-12(7-5-11)10-19-14-3-1-2-13(8-14)15(17)18/h1-8H,10H2,(H2,17,18)
InChIKeyQDWZVEGUQNKYQV-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.24
Rot. Bonds4

About 3-[(4-cyanophenyl)methoxy]benzamide

3-[(4-cyanophenyl)methoxy]benzamide (PubChem CID 18354600) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(4-cyanophenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-[(4-cyanophenyl)methoxy]benzamide
PubChem CID18354600
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-[(4-cyanophenyl)methoxy]benzamide
SMILESN#Cc1ccc(COc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C15H12N2O2/c16-9-11-4-6-12(7-5-11)10-19-14-3-1-2-13(8-14)15(17)18/h1-8H,10H2,(H2,17,18)
InChIKeyQDWZVEGUQNKYQV-UHFFFAOYSA-N
XLogP2.24
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(4-nitrophenyl)methoxy]benzamide
CID 18354598
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate
CID 139616417
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
diethyl 5-[(4-cyanophenyl)methoxy]benzene-1,3-dicarboxylate
CID 7643441
4-[(3-methylsulfonylphenoxy)methyl]benzonitrile
CID 43612912
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanophenyl)methoxy]benzamide?
The IUPAC name of 3-[(4-cyanophenyl)methoxy]benzamide (CID 18354600) is 3-[(4-cyanophenyl)methoxy]benzamide.
What is the SMILES notation for 3-[(4-cyanophenyl)methoxy]benzamide?
The canonical SMILES for 3-[(4-cyanophenyl)methoxy]benzamide is N#Cc1ccc(COc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[(4-cyanophenyl)methoxy]benzamide?
The InChIKey is QDWZVEGUQNKYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-9-11-4-6-12(7-5-11)10-19-14-3-1-2-13(8-14)15(17)18/h1-8H,10H2,(H2,17,18).
What are the key properties of 3-[(4-cyanophenyl)methoxy]benzamide?
3-[(4-cyanophenyl)methoxy]benzamide has a molecular weight of 252.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanophenyl)methoxy]benzamide is sourced from PubChem (CID 18354600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).