2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile

C14H9ClF2N2 — CID 54887309

IUPAC2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C14H9ClF2N2/c15-9-4-1-2-7-12(9)19-13(8-18)14-10(16)5-3-6-11(14)17/h1-7,13,19H
InChIKeyDWPXLSMILRZYHE-UHFFFAOYSA-N
MW278.69 g/mol
LogP4.29
Rot. Bonds3

About 2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile

2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile (PubChem CID 54887309) has the molecular formula C14H9ClF2N2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile
PubChem CID54887309
Molecular FormulaC14H9ClF2N2
Molecular Weight278.69 g/mol
Exact Mass278.04
IUPAC Name2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C14H9ClF2N2/c15-9-4-1-2-7-12(9)19-13(8-18)14-10(16)5-3-6-11(14)17/h1-7,13,19H
InChIKeyDWPXLSMILRZYHE-UHFFFAOYSA-N
XLogP4.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile
CID 54887260
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 55246340
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056862
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
(2S)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056861
2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile
CID 104816454
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluoroanilino)acetonitrile
CID 64975375
2-(2,6-difluorophenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055378
2-(5-bromo-3-pyridinyl)-2-(2-chloroanilino)acetonitrile
CID 113469407
2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile
CID 43151692

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile?
The IUPAC name of 2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile (CID 54887309) is 2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile.
What is the SMILES notation for 2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile?
The canonical SMILES for 2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile is N#CC(Nc1ccccc1Cl)c1c(F)cccc1F.
What is the InChIKey of 2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile?
The InChIKey is DWPXLSMILRZYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2/c15-9-4-1-2-7-12(9)19-13(8-18)14-10(16)5-3-6-11(14)17/h1-7,13,19H.
What are the key properties of 2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile?
2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile has a molecular weight of 278.69 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile is sourced from PubChem (CID 54887309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).