4-(4-cyano-N-ethylanilino)benzonitrile

C16H13N3 — CID 102137566

IUPAC4-(4-cyano-N-ethylanilino)benzonitrile
SMILESCCN(c1ccc(C#N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C16H13N3/c1-2-19(15-7-3-13(11-17)4-8-15)16-9-5-14(12-18)6-10-16/h3-10H,2H2,1H3
InChIKeyFCKFZQBIMJBDLV-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.59
Rot. Bonds3

About 4-(4-cyano-N-ethylanilino)benzonitrile

4-(4-cyano-N-ethylanilino)benzonitrile (PubChem CID 102137566) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(4-cyano-N-ethylanilino)benzonitrile.

Molecular Properties

Compound Name4-(4-cyano-N-ethylanilino)benzonitrile
PubChem CID102137566
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name4-(4-cyano-N-ethylanilino)benzonitrile
SMILESCCN(c1ccc(C#N)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C16H13N3/c1-2-19(15-7-3-13(11-17)4-8-15)16-9-5-14(12-18)6-10-16/h3-10H,2H2,1H3
InChIKeyFCKFZQBIMJBDLV-UHFFFAOYSA-N
XLogP3.59
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,5-dimethyl-1,3-thiazol-2-yl)-ethylamino]benzonitrile
CID 155027719
4-[ethyl(prop-2-enyl)amino]benzonitrile
CID 78958833
3-bromo-5-(N-ethyl-4-methylanilino)benzonitrile
CID 102816098
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
CID 63511993
4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
CID 122213213
azane;benzene-1,4-dicarbonitrile
CID 174336566
1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
4-(N-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-4-cyanoanilino)benzonitrile
CID 102267120
4-[bis(prop-2-enyl)amino]benzonitrile
CID 15882264
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976
4-[methyl(pentyl)amino]benzonitrile
CID 43295094

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-N-ethylanilino)benzonitrile?
The IUPAC name of 4-(4-cyano-N-ethylanilino)benzonitrile (CID 102137566) is 4-(4-cyano-N-ethylanilino)benzonitrile.
What is the SMILES notation for 4-(4-cyano-N-ethylanilino)benzonitrile?
The canonical SMILES for 4-(4-cyano-N-ethylanilino)benzonitrile is CCN(c1ccc(C#N)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-(4-cyano-N-ethylanilino)benzonitrile?
The InChIKey is FCKFZQBIMJBDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-19(15-7-3-13(11-17)4-8-15)16-9-5-14(12-18)6-10-16/h3-10H,2H2,1H3.
What are the key properties of 4-(4-cyano-N-ethylanilino)benzonitrile?
4-(4-cyano-N-ethylanilino)benzonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-N-ethylanilino)benzonitrile is sourced from PubChem (CID 102137566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).