3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile

C15H12ClFN2 — CID 64537008

IUPAC3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile
SMILESN#CC(CNc1cccc(Cl)c1F)c1ccccc1
InChIInChI=1S/C15H12ClFN2/c16-13-7-4-8-14(15(13)17)19-10-12(9-18)11-5-2-1-3-6-11/h1-8,12,19H,10H2
InChIKeyLAQTVZANVMWXLJ-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.20
Rot. Bonds4

About 3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile

3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile (PubChem CID 64537008) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile
PubChem CID64537008
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile
SMILESN#CC(CNc1cccc(Cl)c1F)c1ccccc1
InChIInChI=1S/C15H12ClFN2/c16-13-7-4-8-14(15(13)17)19-10-12(9-18)11-5-2-1-3-6-11/h1-8,12,19H,10H2
InChIKeyLAQTVZANVMWXLJ-UHFFFAOYSA-N
XLogP4.20
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylsulfanylanilino)-2-phenylpropanenitrile
CID 107644775
3-(2-bromo-4-chloroanilino)-2-phenylpropanenitrile
CID 81270267
3-(5-bromo-2-fluoroanilino)-2-phenylpropanenitrile
CID 64537416
N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide
CID 62877359
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
3-(4-bromo-2,6-difluoroanilino)-2-phenylpropanenitrile
CID 65467468
3-(2-chlorophenyl)-2-phenylpropanenitrile
CID 82084814
3-(tert-butylamino)-2-phenylpropanenitrile
CID 64536204
3-[(1,3-dimethylpyrazol-4-yl)amino]-2-phenylpropanenitrile
CID 102805420
3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
CID 115523563
3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile
CID 64537208

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile?
The IUPAC name of 3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile (CID 64537008) is 3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile?
The canonical SMILES for 3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile is N#CC(CNc1cccc(Cl)c1F)c1ccccc1.
What is the InChIKey of 3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile?
The InChIKey is LAQTVZANVMWXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c16-13-7-4-8-14(15(13)17)19-10-12(9-18)11-5-2-1-3-6-11/h1-8,12,19H,10H2.
What are the key properties of 3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile?
3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile has a molecular weight of 274.73 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile is sourced from PubChem (CID 64537008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).