N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide

C16H14N2O3 — CID 43369113

IUPACN-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC#N)cc2)cc1O
InChIInChI=1S/C16H14N2O3/c1-11-2-3-12(10-15(11)19)16(20)18-13-4-6-14(7-5-13)21-9-8-17/h2-7,10,19H,9H2,1H3,(H,18,20)
InChIKeyOIHLHCZXYBJVKL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.86
Rot. Bonds4

About N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide

N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide (PubChem CID 43369113) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
PubChem CID43369113
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC#N)cc2)cc1O
InChIInChI=1S/C16H14N2O3/c1-11-2-3-12(10-15(11)19)16(20)18-13-4-6-14(7-5-13)21-9-8-17/h2-7,10,19H,9H2,1H3,(H,18,20)
InChIKeyOIHLHCZXYBJVKL-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

Analyze N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
CID 115659773
4-bromo-N-[4-(cyanomethoxy)phenyl]-2-methylbenzamide
CID 43629917
3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103841565
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30662859
N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide
CID 122136192

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide (CID 43369113) is N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(OCC#N)cc2)cc1O.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is OIHLHCZXYBJVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-2-3-12(10-15(11)19)16(20)18-13-4-6-14(7-5-13)21-9-8-17/h2-7,10,19H,9H2,1H3,(H,18,20).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide?
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-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-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 43369113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).