N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide

C17H15N3O3 — CID 2450406

IUPACN-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H15N3O3/c1-11(21)19-14-7-8-16(23-2)15(9-14)20-17(22)13-5-3-12(10-18)4-6-13/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyALKBRDPSVATTRC-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.78
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide

N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide (PubChem CID 2450406) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
PubChem CID2450406
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H15N3O3/c1-11(21)19-14-7-8-16(23-2)15(9-14)20-17(22)13-5-3-12(10-18)4-6-13/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyALKBRDPSVATTRC-UHFFFAOYSA-N
XLogP2.78
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-methoxyphenyl)pyridine-4-carboxamide
CID 49183025
5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide
CID 110764577
N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 26705416
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 9019861
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
N-(5-acetamido-2-methoxyphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 46490267
2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 8873523
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
[4-[[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]carbamoyl]phenyl] acetate
CID 22291103
4-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9244698

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide (CID 2450406) is N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide is COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide?
The InChIKey is ALKBRDPSVATTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11(21)19-14-7-8-16(23-2)15(9-14)20-17(22)13-5-3-12(10-18)4-6-13/h3-9H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide?
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide has a molecular weight of 309.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide is sourced from PubChem (CID 2450406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).