2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile

C13H9ClFN3 — CID 64914398

IUPAC2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1ccc(N)cc1F
InChIInChI=1S/C13H9ClFN3/c14-9-2-1-8(7-16)13(5-9)18-12-4-3-10(17)6-11(12)15/h1-6,18H,17H2
InChIKeyGXGGHBPRBDKYDF-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.68
Rot. Bonds2

About 2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile

2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile (PubChem CID 64914398) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
PubChem CID64914398
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1ccc(N)cc1F
InChIInChI=1S/C13H9ClFN3/c14-9-2-1-8(7-16)13(5-9)18-12-4-3-10(17)6-11(12)15/h1-6,18H,17H2
InChIKeyGXGGHBPRBDKYDF-UHFFFAOYSA-N
XLogP3.68
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-bromoanilino)-4-chlorobenzonitrile
CID 64914992
2-(4-amino-2-methylanilino)-4-chlorobenzonitrile
CID 64914595
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
2-(2-amino-5-bromo-4-fluoroanilino)-4-chlorobenzonitrile
CID 116736023
4-amino-N-(5-chloro-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 64914781
4-chloro-2-(2,5-dichloroanilino)benzonitrile
CID 55194781
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
4-chloro-2-(2,3-difluoroanilino)benzonitrile
CID 63093409
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042
5-amino-2-(2,3,4-trifluoroanilino)benzonitrile
CID 61296352
2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
4-chloro-2-(2,5-dichloro-4-methylanilino)benzonitrile
CID 104727196

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile?
The IUPAC name of 2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile (CID 64914398) is 2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile.
What is the SMILES notation for 2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile?
The canonical SMILES for 2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile is N#Cc1ccc(Cl)cc1Nc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile?
The InChIKey is GXGGHBPRBDKYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-9-2-1-8(7-16)13(5-9)18-12-4-3-10(17)6-11(12)15/h1-6,18H,17H2.
What are the key properties of 2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile?
2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile has a molecular weight of 261.69 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluoroanilino)-4-chlorobenzonitrile is sourced from PubChem (CID 64914398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).