3-cyano-N-(4-propoxyphenyl)benzamide

C17H16N2O2 — CID 62328524

IUPAC3-cyano-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C17H16N2O2/c1-2-10-21-16-8-6-15(7-9-16)19-17(20)14-5-3-4-13(11-14)12-18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKeyQZHWTWITPRLEIQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.60
Rot. Bonds5

About 3-cyano-N-(4-propoxyphenyl)benzamide

3-cyano-N-(4-propoxyphenyl)benzamide (PubChem CID 62328524) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-cyano-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(4-propoxyphenyl)benzamide
PubChem CID62328524
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-cyano-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C17H16N2O2/c1-2-10-21-16-8-6-15(7-9-16)19-17(20)14-5-3-4-13(11-14)12-18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChIKeyQZHWTWITPRLEIQ-UHFFFAOYSA-N
XLogP3.60
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
CID 38380319
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
N-(3-cyanophenyl)-4-pentoxybenzamide
CID 4935007
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
(4-propoxyphenyl) 3-cyanobenzoate
CID 7747650
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 3-cyano-N-(4-propoxyphenyl)benzamide (CID 62328524) is 3-cyano-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 3-cyano-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of 3-cyano-N-(4-propoxyphenyl)benzamide?
The InChIKey is QZHWTWITPRLEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-10-21-16-8-6-15(7-9-16)19-17(20)14-5-3-4-13(11-14)12-18/h3-9,11H,2,10H2,1H3,(H,19,20).
What are the key properties of 3-cyano-N-(4-propoxyphenyl)benzamide?
3-cyano-N-(4-propoxyphenyl)benzamide has a molecular weight of 280.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 62328524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).