N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide

C23H20N2O2 — CID 39501116

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C)c1
InChIInChI=1S/C23H20N2O2/c1-16-9-10-22(17(2)11-16)23(26)25-20-7-4-8-21(13-20)27-15-19-6-3-5-18(12-19)14-24/h3-13H,15H2,1-2H3,(H,25,26)
InChIKeyLGHSEILWWFKMLF-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.01
Rot. Bonds5

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide (PubChem CID 39501116) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
PubChem CID39501116
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C)c1
InChIInChI=1S/C23H20N2O2/c1-16-9-10-22(17(2)11-16)23(26)25-20-7-4-8-21(13-20)27-15-19-6-3-5-18(12-19)14-24/h3-13H,15H2,1-2H3,(H,25,26)
InChIKeyLGHSEILWWFKMLF-UHFFFAOYSA-N
XLogP5.01
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide 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-2-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]benzamide
CID 60512198
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
4-bromo-N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55689113
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55689090
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
CID 52703472
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907346
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
CID 55962072

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide (CID 39501116) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c(C)c1.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide?
The InChIKey is LGHSEILWWFKMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-16-9-10-22(17(2)11-16)23(26)25-20-7-4-8-21(13-20)27-15-19-6-3-5-18(12-19)14-24/h3-13H,15H2,1-2H3,(H,25,26).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide has a molecular weight of 356.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 39501116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).