2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile

C15H11FN2O — CID 82120041

IUPAC2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile
SMILESN#Cc1ccccc1NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O/c16-13-7-5-11(6-8-13)15(19)10-18-14-4-2-1-3-12(14)9-17/h1-8,18H,10H2
InChIKeyWOICHXXUGVBQBP-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.99
Rot. Bonds4

About 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile

2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile (PubChem CID 82120041) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile
PubChem CID82120041
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile
SMILESN#Cc1ccccc1NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2O/c16-13-7-5-11(6-8-13)15(19)10-18-14-4-2-1-3-12(14)9-17/h1-8,18H,10H2
InChIKeyWOICHXXUGVBQBP-UHFFFAOYSA-N
XLogP2.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 108997912
2-[2-(4-fluorophenyl)-2-oxoethyl]benzonitrile
CID 122390947
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011065
2-[3-[7-[2-(4-fluorophenyl)-2-oxoethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]propylamino]benzonitrile
CID 90947329
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000386
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
N-(2-cyanophenyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 30716981
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(2-cyanophenyl)urea
CID 11451189
3-[3-(4-fluorophenyl)-3-oxopropanoyl]benzonitrile
CID 67057138
2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28580926
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile?
The IUPAC name of 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile (CID 82120041) is 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile is N#Cc1ccccc1NCC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile?
The InChIKey is WOICHXXUGVBQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-13-7-5-11(6-8-13)15(19)10-18-14-4-2-1-3-12(14)9-17/h1-8,18H,10H2.
What are the key properties of 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile?
2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile has a molecular weight of 254.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]benzonitrile is sourced from PubChem (CID 82120041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).