3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide

C19H19N3O2 — CID 110362455

IUPAC3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(N2CCOCC2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H19N3O2/c1-14-5-6-17(22-7-9-24-10-8-22)12-18(14)21-19(23)16-4-2-3-15(11-16)13-20/h2-6,11-12H,7-10H2,1H3,(H,21,23)
InChIKeyMZLYHHFISUILEF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.96
Rot. Bonds3

About 3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide

3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide (PubChem CID 110362455) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
PubChem CID110362455
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(N2CCOCC2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H19N3O2/c1-14-5-6-17(22-7-9-24-10-8-22)12-18(14)21-19(23)16-4-2-3-15(11-16)13-20/h2-6,11-12H,7-10H2,1H3,(H,21,23)
InChIKeyMZLYHHFISUILEF-UHFFFAOYSA-N
XLogP2.96
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide (CID 110362455) is 3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide is Cc1ccc(N2CCOCC2)cc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide?
The InChIKey is MZLYHHFISUILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-5-6-17(22-7-9-24-10-8-22)12-18(14)21-19(23)16-4-2-3-15(11-16)13-20/h2-6,11-12H,7-10H2,1H3,(H,21,23).
What are the key properties of 3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide?
3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 110362455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).