N-(2-cyanophenyl)-2-propoxybenzamide

C17H16N2O2 — CID 4947824

IUPACN-(2-cyanophenyl)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H16N2O2/c1-2-11-21-16-10-6-4-8-14(16)17(20)19-15-9-5-3-7-13(15)12-18/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyRKHSYVWONCMYQQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.60
Rot. Bonds5

About N-(2-cyanophenyl)-2-propoxybenzamide

N-(2-cyanophenyl)-2-propoxybenzamide (PubChem CID 4947824) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-propoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-propoxybenzamide
PubChem CID4947824
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-(2-cyanophenyl)-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H16N2O2/c1-2-11-21-16-10-6-4-8-14(16)17(20)19-15-9-5-3-7-13(15)12-18/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyRKHSYVWONCMYQQ-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-[(2-cyanophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355902
N-[(2-cyanophenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944408
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-butan-2-yl-2-[(2-propoxybenzoyl)amino]benzamide
CID 17151255
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791157
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
CID 4948024
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-propoxybenzamide?
The IUPAC name of N-(2-cyanophenyl)-2-propoxybenzamide (CID 4947824) is N-(2-cyanophenyl)-2-propoxybenzamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-propoxybenzamide?
The canonical SMILES for N-(2-cyanophenyl)-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-propoxybenzamide?
The InChIKey is RKHSYVWONCMYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-11-21-16-10-6-4-8-14(16)17(20)19-15-9-5-3-7-13(15)12-18/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-2-propoxybenzamide?
N-(2-cyanophenyl)-2-propoxybenzamide 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 N-(2-cyanophenyl)-2-propoxybenzamide is sourced from PubChem (CID 4947824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).