4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile

C16H13F3N2 — CID 43320672

IUPAC4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile
SMILESCCc1cccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3N2/c1-2-11-4-3-5-13(8-11)21-14-7-6-12(10-20)15(9-14)16(17,18)19/h3-9,21H,2H2,1H3
InChIKeyAAWJDZLKJSVNRF-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.88
Rot. Bonds3

About 4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile

4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile (PubChem CID 43320672) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile
PubChem CID43320672
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile
SMILESCCc1cccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3N2/c1-2-11-4-3-5-13(8-11)21-14-7-6-12(10-20)15(9-14)16(17,18)19/h3-9,21H,2H2,1H3
InChIKeyAAWJDZLKJSVNRF-UHFFFAOYSA-N
XLogP4.88
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromoanilino)-2-(trifluoromethyl)benzonitrile
CID 43138526
4-(3,5-dimethylanilino)-2-(trifluoromethyl)benzonitrile
CID 43320662
2-(3-ethylanilino)-4-methylbenzonitrile
CID 55195560
4-(pentylamino)-2-(trifluoromethyl)benzonitrile
CID 43138516
4-[[(2S)-butan-2-yl]amino]-2-(trifluoromethyl)benzonitrile
CID 69236124
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethylthiourea
CID 116509077
4-(3-amino-5-methylanilino)-2-(trifluoromethyl)benzonitrile
CID 115980818
4-(3,3-dimethylbutylamino)-2-(trifluoromethyl)benzonitrile
CID 65483961
4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207
4-[(6-chloro-2-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 65485739
4-(2,2-dimethylhydrazinyl)-2-(trifluoromethyl)benzonitrile
CID 83016971
N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65483984

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile (CID 43320672) is 4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile is CCc1cccc(Nc2ccc(C#N)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile?
The InChIKey is AAWJDZLKJSVNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c1-2-11-4-3-5-13(8-11)21-14-7-6-12(10-20)15(9-14)16(17,18)19/h3-9,21H,2H2,1H3.
What are the key properties of 4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile?
4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile has a molecular weight of 290.29 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylanilino)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 43320672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).