N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline

C20H14ClF3N2O — CID 1486865

IUPACN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline
SMILESFC(F)(F)c1cnc(C=CNc2ccccc2Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C20H14ClF3N2O/c21-16-12-14(20(22,23)24)13-26-17(16)10-11-25-18-8-4-5-9-19(18)27-15-6-2-1-3-7-15/h1-13,25H
InChIKeyMETACXRJJDKBJC-UHFFFAOYSA-N
MW390.79 g/mol
LogP6.63
Rot. Bonds5

About N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline

N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline (PubChem CID 1486865) has the molecular formula C20H14ClF3N2O and a molecular weight of 390.79 g/mol. Its IUPAC name is N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline.

Molecular Properties

Compound NameN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline
PubChem CID1486865
Molecular FormulaC20H14ClF3N2O
Molecular Weight390.79 g/mol
Exact Mass390.07
IUPAC NameN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline
SMILESFC(F)(F)c1cnc(C=CNc2ccccc2Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C20H14ClF3N2O/c21-16-12-14(20(22,23)24)13-26-17(16)10-11-25-18-8-4-5-9-19(18)27-15-6-2-1-3-7-15/h1-13,25H
InChIKeyMETACXRJJDKBJC-UHFFFAOYSA-N
XLogP6.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.79
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]aniline
CID 1486861
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-(2-phenoxyphenyl)thiourea
CID 84820048
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoic acid
CID 1487270
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
dimethyl (E)-2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]but-2-enedioate
CID 168566431
(NZ)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]hydroxylamine
CID 136676474
3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
CID 168524801
3-N-(4-phenoxyphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28847148
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
N-(2-phenoxyphenyl)-2-(trifluoromethyl)pyridin-4-amine
CID 3838394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)-5-(trifluoromethyl)aniline
CID 168583771

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline?
The IUPAC name of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline (CID 1486865) is N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline.
What is the SMILES notation for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline?
The canonical SMILES for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline is FC(F)(F)c1cnc(C=CNc2ccccc2Oc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline?
The InChIKey is METACXRJJDKBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O/c21-16-12-14(20(22,23)24)13-26-17(16)10-11-25-18-8-4-5-9-19(18)27-15-6-2-1-3-7-15/h1-13,25H.
What are the key properties of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline?
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline has a molecular weight of 390.79 g/mol, XLogP of 6.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-2-phenoxyaniline is sourced from PubChem (CID 1486865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).