2-[4-(4-fluoroanilino)phenyl]acetonitrile

C14H11FN2 — CID 82537219

IUPAC2-[4-(4-fluoroanilino)phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FN2/c15-12-3-7-14(8-4-12)17-13-5-1-11(2-6-13)9-10-16/h1-8,17H,9H2
InChIKeyAKYDIRYPVCBWSD-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.64
Rot. Bonds3

About 2-[4-(4-fluoroanilino)phenyl]acetonitrile

2-[4-(4-fluoroanilino)phenyl]acetonitrile (PubChem CID 82537219) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[4-(4-fluoroanilino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-fluoroanilino)phenyl]acetonitrile
PubChem CID82537219
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name2-[4-(4-fluoroanilino)phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FN2/c15-12-3-7-14(8-4-12)17-13-5-1-11(2-6-13)9-10-16/h1-8,17H,9H2
InChIKeyAKYDIRYPVCBWSD-UHFFFAOYSA-N
XLogP3.64
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile
CID 14461233
2-[4-(4-aminoanilino)phenyl]acetonitrile
CID 62302194
2-[4-[4-(dimethylamino)anilino]phenyl]acetonitrile
CID 82536552
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040901
(E)-N-[4-(cyanomethyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9193784
5-[4-(cyanomethyl)anilino]pyridine-2-carboxylic acid
CID 113435915
2-[4-(cyanomethylamino)phenyl]acetonitrile
CID 60720877
N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27163463
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile
CID 79727692
2-[4-[(5-aminopyrimidin-2-yl)amino]phenyl]acetonitrile
CID 62303544

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoroanilino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(4-fluoroanilino)phenyl]acetonitrile (CID 82537219) is 2-[4-(4-fluoroanilino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(4-fluoroanilino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(4-fluoroanilino)phenyl]acetonitrile is N#CCc1ccc(Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluoroanilino)phenyl]acetonitrile?
The InChIKey is AKYDIRYPVCBWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-12-3-7-14(8-4-12)17-13-5-1-11(2-6-13)9-10-16/h1-8,17H,9H2.
What are the key properties of 2-[4-(4-fluoroanilino)phenyl]acetonitrile?
2-[4-(4-fluoroanilino)phenyl]acetonitrile has a molecular weight of 226.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoroanilino)phenyl]acetonitrile is sourced from PubChem (CID 82537219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).