2-[3-(N-phenylanilino)phenyl]acetonitrile

C20H16N2 — CID 141205110

IUPAC2-[3-(N-phenylanilino)phenyl]acetonitrile
SMILESN#CCc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H16N2/c21-15-14-17-8-7-13-20(16-17)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16H,14H2
InChIKeyIXWRRMLZJXGMPI-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.22
Rot. Bonds4

About 2-[3-(N-phenylanilino)phenyl]acetonitrile

2-[3-(N-phenylanilino)phenyl]acetonitrile (PubChem CID 141205110) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[3-(N-phenylanilino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(N-phenylanilino)phenyl]acetonitrile
PubChem CID141205110
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name2-[3-(N-phenylanilino)phenyl]acetonitrile
SMILESN#CCc1cccc(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H16N2/c21-15-14-17-8-7-13-20(16-17)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16H,14H2
InChIKeyIXWRRMLZJXGMPI-UHFFFAOYSA-N
XLogP5.22
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(N-ethylanilino)phenyl]acetonitrile
CID 57015161
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile
CID 82135629
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
2-[3-(N-phenylanilino)phenyl]acetic acid
CID 170886645
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
ethanol;2-phenylacetonitrile
CID 70378956
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014
2-(3-iodophenyl)acetonitrile
CID 2759368
pentane;2-phenylacetonitrile
CID 175401788

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-phenylanilino)phenyl]acetonitrile?
The IUPAC name of 2-[3-(N-phenylanilino)phenyl]acetonitrile (CID 141205110) is 2-[3-(N-phenylanilino)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(N-phenylanilino)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(N-phenylanilino)phenyl]acetonitrile is N#CCc1cccc(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[3-(N-phenylanilino)phenyl]acetonitrile?
The InChIKey is IXWRRMLZJXGMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c21-15-14-17-8-7-13-20(16-17)22(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16H,14H2.
What are the key properties of 2-[3-(N-phenylanilino)phenyl]acetonitrile?
2-[3-(N-phenylanilino)phenyl]acetonitrile has a molecular weight of 284.36 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-phenylanilino)phenyl]acetonitrile is sourced from PubChem (CID 141205110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).