2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile

C15H4Cl4F3N3 — CID 89304215

IUPAC2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(Cl)c(Cl)c(Nc2ccc(C(F)(F)F)cc2Cl)c(C#N)c1Cl
InChIInChI=1S/C15H4Cl4F3N3/c16-9-3-6(15(20,21)22)1-2-10(9)25-14-8(5-24)11(17)7(4-23)12(18)13(14)19/h1-3,25H
InChIKeyRYYDVKLFMBWICM-UHFFFAOYSA-N
MW425.02 g/mol
LogP6.81
Rot. Bonds2

About 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile

2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile (PubChem CID 89304215) has the molecular formula C15H4Cl4F3N3 and a molecular weight of 425.02 g/mol. Its IUPAC name is 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile
PubChem CID89304215
Molecular FormulaC15H4Cl4F3N3
Molecular Weight425.02 g/mol
Exact Mass422.91
IUPAC Name2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile
SMILESN#Cc1c(Cl)c(Cl)c(Nc2ccc(C(F)(F)F)cc2Cl)c(C#N)c1Cl
InChIInChI=1S/C15H4Cl4F3N3/c16-9-3-6(15(20,21)22)1-2-10(9)25-14-8(5-24)11(17)7(4-23)12(18)13(14)19/h1-3,25H
InChIKeyRYYDVKLFMBWICM-UHFFFAOYSA-N
XLogP6.81
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.02
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dichloroanilino)-5-(trifluoromethyl)benzonitrile
CID 65467469
6-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668990
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
CID 114766291
3-chloro-4-[2-fluoro-5-(trifluoromethyl)anilino]benzonitrile
CID 63510677
5-amino-2-[2-chloro-4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 63668446
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
2-chloro-N-ethenyl-4-(trifluoromethyl)aniline
CID 172629453
5-[2-chloro-5-(trifluoromethyl)anilino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375532
4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 63667774
2-[[2-chloro-4-(trifluoromethyl)anilino]methylidene]butanedinitrile
CID 67703161
2,4,5-trichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 21234722
2,4,5-trichloro-6-(2-chloro-6-fluoro-4-methylanilino)benzene-1,3-dicarbonitrile
CID 89300272

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile?
The IUPAC name of 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile (CID 89304215) is 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile is N#Cc1c(Cl)c(Cl)c(Nc2ccc(C(F)(F)F)cc2Cl)c(C#N)c1Cl.
What is the InChIKey of 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile?
The InChIKey is RYYDVKLFMBWICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H4Cl4F3N3/c16-9-3-6(15(20,21)22)1-2-10(9)25-14-8(5-24)11(17)7(4-23)12(18)13(14)19/h1-3,25H.
What are the key properties of 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile?
2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile has a molecular weight of 425.02 g/mol, XLogP of 6.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 89304215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).