2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide

C16H14N2O3 — CID 18089225

IUPAC2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCc2ccccc2C#N)c1
InChIInChI=1S/C16H14N2O3/c1-20-13-6-7-14(16(18)19)15(8-13)21-10-12-5-3-2-4-11(12)9-17/h2-8H,10H2,1H3,(H2,18,19)
InChIKeyPUDSYLUCPCEDLY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.24
Rot. Bonds5

About 2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide

2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide (PubChem CID 18089225) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide
PubChem CID18089225
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCc2ccccc2C#N)c1
InChIInChI=1S/C16H14N2O3/c1-20-13-6-7-14(16(18)19)15(8-13)21-10-12-5-3-2-4-11(12)9-17/h2-8H,10H2,1H3,(H2,18,19)
InChIKeyPUDSYLUCPCEDLY-UHFFFAOYSA-N
XLogP2.24
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915
(2-cyanophenyl)methyl 2,4-dimethoxybenzoate
CID 9203493
2-[(1-cyanoindolizin-2-yl)methoxy]-4-methoxybenzamide
CID 47019616
2-[(4-acetyl-3-bromophenoxy)methyl]benzonitrile
CID 91863521
2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide
CID 18143078
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide
CID 51119332
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366
2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile
CID 62110948
2-[(3-fluorophenyl)methoxy]-4-methoxybenzamide
CID 17495497
2-fluoro-3-[[2-(hydroxymethyl)-5-methoxyphenoxy]methyl]benzonitrile
CID 107118572
4-methoxy-2-[(5-phenyl-1,3-oxazol-2-yl)methoxy]benzamide
CID 47004427

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide?
The IUPAC name of 2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide (CID 18089225) is 2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCc2ccccc2C#N)c1.
What is the InChIKey of 2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide?
The InChIKey is PUDSYLUCPCEDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-6-7-14(16(18)19)15(8-13)21-10-12-5-3-2-4-11(12)9-17/h2-8H,10H2,1H3,(H2,18,19).
What are the key properties of 2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide?
2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide is sourced from PubChem (CID 18089225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).