N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide

C16H14N2O3 — CID 43369137

IUPACN-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(OCC#N)c2)c1O
InChIInChI=1S/C16H14N2O3/c1-11-4-2-7-14(15(11)19)16(20)18-12-5-3-6-13(10-12)21-9-8-17/h2-7,10,19H,9H2,1H3,(H,18,20)
InChIKeyVSSDARNBUZZJFI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.86
Rot. Bonds4

About N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide

N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide (PubChem CID 43369137) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
PubChem CID43369137
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(OCC#N)c2)c1O
InChIInChI=1S/C16H14N2O3/c1-11-4-2-7-14(15(11)19)16(20)18-12-5-3-6-13(10-12)21-9-8-17/h2-7,10,19H,9H2,1H3,(H,18,20)
InChIKeyVSSDARNBUZZJFI-UHFFFAOYSA-N
XLogP2.86
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-(cyanomethoxy)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 55752004
5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
CID 43369133
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
CID 43175442
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55800264
4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43805481
5-amino-2-bromo-N-[3-(cyanomethoxy)phenyl]benzamide
CID 115297134
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide (CID 43369137) is N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(OCC#N)c2)c1O.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is VSSDARNBUZZJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-4-2-7-14(15(11)19)16(20)18-12-5-3-6-13(10-12)21-9-8-17/h2-7,10,19H,9H2,1H3,(H,18,20).
What are the key properties of N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide?
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 282.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 43369137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).