4-[(4-cyanophenoxy)methyl]benzamide

C15H12N2O2 — CID 11831905

IUPAC4-[(4-cyanophenoxy)methyl]benzamide
SMILESN#Cc1ccc(OCc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C15H12N2O2/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-8H,10H2,(H2,17,18)
InChIKeyLRRBTFFPGIHYPO-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.24
Rot. Bonds4

About 4-[(4-cyanophenoxy)methyl]benzamide

4-[(4-cyanophenoxy)methyl]benzamide (PubChem CID 11831905) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[(4-cyanophenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-cyanophenoxy)methyl]benzamide
PubChem CID11831905
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-[(4-cyanophenoxy)methyl]benzamide
SMILESN#Cc1ccc(OCc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C15H12N2O2/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-8H,10H2,(H2,17,18)
InChIKeyLRRBTFFPGIHYPO-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

3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[(3-cyano-4-fluorophenyl)methoxy]benzamide
CID 103758758
4-[(4-nitrophenyl)methoxy]benzamide
CID 7893395
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
(4-carbamoylphenyl) 4-cyanobenzoate
CID 8803287
4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide
CID 51263900
4-[[4-(methylamino)phenoxy]methyl]benzamide
CID 54908957
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
diethyl 5-[(4-cyanophenyl)methoxy]benzene-1,3-dicarboxylate
CID 7643441
4-[(4-iodophenoxy)methyl]benzonitrile
CID 7694615
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyanophenoxy)methyl]benzamide?
The IUPAC name of 4-[(4-cyanophenoxy)methyl]benzamide (CID 11831905) is 4-[(4-cyanophenoxy)methyl]benzamide.
What is the SMILES notation for 4-[(4-cyanophenoxy)methyl]benzamide?
The canonical SMILES for 4-[(4-cyanophenoxy)methyl]benzamide is N#Cc1ccc(OCc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[(4-cyanophenoxy)methyl]benzamide?
The InChIKey is LRRBTFFPGIHYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-8H,10H2,(H2,17,18).
What are the key properties of 4-[(4-cyanophenoxy)methyl]benzamide?
4-[(4-cyanophenoxy)methyl]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 4-[(4-cyanophenoxy)methyl]benzamide is sourced from PubChem (CID 11831905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).