N-(2-cyanophenyl)-3-prop-2-enoxybenzamide

C17H14N2O2 — CID 2994048

IUPACN-(2-cyanophenyl)-3-prop-2-enoxybenzamide
SMILESC=CCOc1cccc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C17H14N2O2/c1-2-10-21-15-8-5-7-13(11-15)17(20)19-16-9-4-3-6-14(16)12-18/h2-9,11H,1,10H2,(H,19,20)
InChIKeyQNAPNVQMVKVZBL-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.38
Rot. Bonds5

About N-(2-cyanophenyl)-3-prop-2-enoxybenzamide

N-(2-cyanophenyl)-3-prop-2-enoxybenzamide (PubChem CID 2994048) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-prop-2-enoxybenzamide
PubChem CID2994048
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(2-cyanophenyl)-3-prop-2-enoxybenzamide
SMILESC=CCOc1cccc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C17H14N2O2/c1-2-10-21-15-8-5-7-13(11-15)17(20)19-16-9-4-3-6-14(16)12-18/h2-9,11H,1,10H2,(H,19,20)
InChIKeyQNAPNVQMVKVZBL-UHFFFAOYSA-N
XLogP3.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-3-phenoxybenzamide
CID 17167885
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510
3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057632
N-(2-chlorophenyl)-3-[(2-cyanophenyl)methoxy]benzamide
CID 52738882
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2995099
3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4955159
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
3-N-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057400
methyl 3-[[3-[(2-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057734

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-prop-2-enoxybenzamide?
The IUPAC name of N-(2-cyanophenyl)-3-prop-2-enoxybenzamide (CID 2994048) is N-(2-cyanophenyl)-3-prop-2-enoxybenzamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-prop-2-enoxybenzamide?
The canonical SMILES for N-(2-cyanophenyl)-3-prop-2-enoxybenzamide is C=CCOc1cccc(C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-3-prop-2-enoxybenzamide?
The InChIKey is QNAPNVQMVKVZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-2-10-21-15-8-5-7-13(11-15)17(20)19-16-9-4-3-6-14(16)12-18/h2-9,11H,1,10H2,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-3-prop-2-enoxybenzamide?
N-(2-cyanophenyl)-3-prop-2-enoxybenzamide has a molecular weight of 278.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-prop-2-enoxybenzamide is sourced from PubChem (CID 2994048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).