3-cyano-N-(2-propan-2-yloxyphenyl)benzamide

C17H16N2O2 — CID 38999846

IUPAC3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H16N2O2/c1-12(2)21-16-9-4-3-8-15(16)19-17(20)14-7-5-6-13(10-14)11-18/h3-10,12H,1-2H3,(H,19,20)
InChIKeyROBUUEDZCCLJLH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.60
Rot. Bonds4

About 3-cyano-N-(2-propan-2-yloxyphenyl)benzamide

3-cyano-N-(2-propan-2-yloxyphenyl)benzamide (PubChem CID 38999846) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-cyano-N-(2-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
PubChem CID38999846
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C17H16N2O2/c1-12(2)21-16-9-4-3-8-15(16)19-17(20)14-7-5-6-13(10-14)11-18/h3-10,12H,1-2H3,(H,19,20)
InChIKeyROBUUEDZCCLJLH-UHFFFAOYSA-N
XLogP3.60
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057684
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
3-amino-N-(2-propan-2-yloxyphenyl)benzamide
CID 28722379
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 29457912
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293839
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113180955
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-cyano-N-(2-propan-2-yloxyphenyl)benzamide (CID 38999846) is 3-cyano-N-(2-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccccc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-propan-2-yloxyphenyl)benzamide?
The InChIKey is ROBUUEDZCCLJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(2)21-16-9-4-3-8-15(16)19-17(20)14-7-5-6-13(10-14)11-18/h3-10,12H,1-2H3,(H,19,20).
What are the key properties of 3-cyano-N-(2-propan-2-yloxyphenyl)benzamide?
3-cyano-N-(2-propan-2-yloxyphenyl)benzamide has a molecular weight of 280.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 38999846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).