2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile

C14H7ClFN3 — CID 62946987

IUPAC2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2cccc(F)c2C#N)cc1Cl
InChIInChI=1S/C14H7ClFN3/c15-12-6-10(5-4-9(12)7-17)19-14-3-1-2-13(16)11(14)8-18/h1-6,19H
InChIKeySEUFBSIEAQHIKB-UHFFFAOYSA-N
MW271.68 g/mol
LogP3.97
Rot. Bonds2

About 2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile

2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile (PubChem CID 62946987) has the molecular formula C14H7ClFN3 and a molecular weight of 271.68 g/mol. Its IUPAC name is 2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
PubChem CID62946987
Molecular FormulaC14H7ClFN3
Molecular Weight271.68 g/mol
Exact Mass271.03
IUPAC Name2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
SMILESN#Cc1ccc(Nc2cccc(F)c2C#N)cc1Cl
InChIInChI=1S/C14H7ClFN3/c15-12-6-10(5-4-9(12)7-17)19-14-3-1-2-13(16)11(14)8-18/h1-6,19H
InChIKeySEUFBSIEAQHIKB-UHFFFAOYSA-N
XLogP3.97
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
2-chloro-4-(5-chloro-2-fluoroanilino)benzonitrile
CID 55196328
2-fluoro-6-(3-hydroxyanilino)benzonitrile
CID 82242626
2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
CID 78910919
2-chloro-4-(2-fluoro-4-methylanilino)benzonitrile
CID 55195753
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
2-(3-bromo-4-fluoroanilino)-6-chlorobenzonitrile
CID 104778816
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550
2-(4-acetylanilino)-6-fluorobenzonitrile
CID 15041456
2-chloro-4-(5-fluoro-2-methylanilino)benzonitrile
CID 55194420
4-(3-chloro-4-cyanoanilino)-3-fluorobenzoic acid
CID 63188308

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile (CID 62946987) is 2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile is N#Cc1ccc(Nc2cccc(F)c2C#N)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile?
The InChIKey is SEUFBSIEAQHIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFN3/c15-12-6-10(5-4-9(12)7-17)19-14-3-1-2-13(16)11(14)8-18/h1-6,19H.
What are the key properties of 2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile?
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile has a molecular weight of 271.68 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 62946987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).