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

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

N-(5-bromo-2-morpholin-4-ylphenyl)-3-cyanobenzamide
CID 46813523
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362463
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 40602464
2-[(3-cyanobenzoyl)amino]-5-piperidin-1-ylbenzamide
CID 167822035
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195
3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
CID 22291112
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
N-[5-[(2,4-dimorpholin-4-ylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 24653710
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide
CID 142647198
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839

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).