N-(3-cyanophenyl)-4-ethoxybenzamide

C16H14N2O2 — CID 2707612

IUPACN-(3-cyanophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C16H14N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)18-14-5-3-4-12(10-14)11-17/h3-10H,2H2,1H3,(H,18,19)
InChIKeyDZKCFBLYRZOXAY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.21
Rot. Bonds4

About N-(3-cyanophenyl)-4-ethoxybenzamide

N-(3-cyanophenyl)-4-ethoxybenzamide (PubChem CID 2707612) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-ethoxybenzamide
PubChem CID2707612
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(3-cyanophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C16H14N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)18-14-5-3-4-12(10-14)11-17/h3-10H,2H2,1H3,(H,18,19)
InChIKeyDZKCFBLYRZOXAY-UHFFFAOYSA-N
XLogP3.21
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-4-pentoxybenzamide
CID 4935007
N-[(2R)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 40742445
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884711
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273984
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-ethoxybenzamide?
The IUPAC name of N-(3-cyanophenyl)-4-ethoxybenzamide (CID 2707612) is N-(3-cyanophenyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-ethoxybenzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-ethoxybenzamide?
The InChIKey is DZKCFBLYRZOXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-15-8-6-13(7-9-15)16(19)18-14-5-3-4-12(10-14)11-17/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of N-(3-cyanophenyl)-4-ethoxybenzamide?
N-(3-cyanophenyl)-4-ethoxybenzamide has a molecular weight of 266.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-ethoxybenzamide is sourced from PubChem (CID 2707612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).