5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide

C17H15N3O3 — CID 110764577

IUPAC5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide
SMILESCOc1ccc(NC(C)=O)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H15N3O3/c1-11(21)19-14-7-8-16(23-2)15(9-14)17(22)20-13-5-3-12(10-18)4-6-13/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyNMVFRNCSUFCRRJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.78
Rot. Bonds4

About 5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide

5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide (PubChem CID 110764577) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide
PubChem CID110764577
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide
SMILESCOc1ccc(NC(C)=O)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H15N3O3/c1-11(21)19-14-7-8-16(23-2)15(9-14)17(22)20-13-5-3-12(10-18)4-6-13/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyNMVFRNCSUFCRRJ-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

5-acetamido-N-(cyanomethyl)-2-methoxybenzamide
CID 82479761
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 9019861
1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157181
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide?
The IUPAC name of 5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide (CID 110764577) is 5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide is COc1ccc(NC(C)=O)cc1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide?
The InChIKey is NMVFRNCSUFCRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11(21)19-14-7-8-16(23-2)15(9-14)17(22)20-13-5-3-12(10-18)4-6-13/h3-9H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide?
5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide 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 5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide is sourced from PubChem (CID 110764577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).