N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide

C17H14N2O2 — CID 160631823

IUPACN-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide
SMILESN#Cc1ccc(CCNC(=O)c2ccccc2C=O)cc1
InChIInChI=1S/C17H14N2O2/c18-11-14-7-5-13(6-8-14)9-10-19-17(21)16-4-2-1-3-15(16)12-20/h1-8,12H,9-10H2,(H,19,21)
InChIKeyOMPLIXJPTUPFIA-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide

N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide (PubChem CID 160631823) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide
PubChem CID160631823
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide
SMILESN#Cc1ccc(CCNC(=O)c2ccccc2C=O)cc1
InChIInChI=1S/C17H14N2O2/c18-11-14-7-5-13(6-8-14)9-10-19-17(21)16-4-2-1-3-15(16)12-20/h1-8,12H,9-10H2,(H,19,21)
InChIKeyOMPLIXJPTUPFIA-UHFFFAOYSA-N
XLogP2.34
TPSA69.96 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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2-formylbenzamide
CID 18508334
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
4-[3-(2-formylphenyl)-3-oxoprop-1-ynyl]benzonitrile
CID 156774981
3-[2-(4-cyanophenyl)ethylamino]-3-oxopropanoic acid
CID 19926322
4-cyano-N-(2-phenylethylcarbamothioyl)benzamide
CID 22908154
4-formyl-5,8-bis(2-phenylethylcarbamoyl)naphthalene-1-carboxylic acid
CID 88871086
2-[(4-cyanophenyl)methylsulfanyl]-N-propylbenzamide
CID 30878901
2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797
N-(2-acetamidoethyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 78772625
4-cyano-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796564
2-[2-[(2-formylbenzoyl)amino]ethyl]-3-hydroxy-5-[4-(4-hydroxyphenyl)phenyl]pentanoic acid
CID 88961361
N-[2-(4-cyanophenyl)ethyl]formamide;ethane
CID 145433256

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide?
The IUPAC name of N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide (CID 160631823) is N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide?
The canonical SMILES for N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide is N#Cc1ccc(CCNC(=O)c2ccccc2C=O)cc1.
What is the InChIKey of N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide?
The InChIKey is OMPLIXJPTUPFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-11-14-7-5-13(6-8-14)9-10-19-17(21)16-4-2-1-3-15(16)12-20/h1-8,12H,9-10H2,(H,19,21).
What are the key properties of N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide?
N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide has a molecular weight of 278.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide is sourced from PubChem (CID 160631823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).