N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide

C16H14N2O3 — CID 43369186

IUPACN-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(OCC#N)c2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-14-7-5-12(6-8-14)16(19)18-13-3-2-4-15(11-13)21-10-9-17/h2-8,11H,10H2,1H3,(H,18,19)
InChIKeyLPVZFMDVKUETGE-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.85
Rot. Bonds5

About N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide

N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide (PubChem CID 43369186) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
PubChem CID43369186
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(OCC#N)c2)cc1
InChIInChI=1S/C16H14N2O3/c1-20-14-7-5-12(6-8-14)16(19)18-13-3-2-4-15(11-13)21-10-9-17/h2-8,11H,10H2,1H3,(H,18,19)
InChIKeyLPVZFMDVKUETGE-UHFFFAOYSA-N
XLogP2.85
TPSA71.35 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43708780
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
4-bromo-3-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 80973651
N-hydroxy-4-[[3-[(4-methoxybenzoyl)amino]phenoxy]methyl]benzamide
CID 153407823
N-[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-methylbenzamide
CID 19644977
N-[3-(cyanomethoxy)phenyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55800391
2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
CID 103754604
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 113233319
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide (CID 43369186) is N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(OCC#N)c2)cc1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide?
The InChIKey is LPVZFMDVKUETGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-14-7-5-12(6-8-14)16(19)18-13-3-2-4-15(11-13)21-10-9-17/h2-8,11H,10H2,1H3,(H,18,19).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide?
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 43369186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).