N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline

C19H13ClF3N — CID 166066714

IUPACN-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)c1
InChIInChI=1S/C19H13ClF3N/c20-16-6-8-17(9-7-16)24-18-11-14(13-4-2-1-3-5-13)10-15(12-18)19(21,22)23/h1-12,24H
InChIKeyDATRHCYEAUMXNN-UHFFFAOYSA-N
MW347.77 g/mol
LogP6.77
Rot. Bonds3

About N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline

N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline (PubChem CID 166066714) has the molecular formula C19H13ClF3N and a molecular weight of 347.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline
PubChem CID166066714
Molecular FormulaC19H13ClF3N
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC NameN-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)c1
InChIInChI=1S/C19H13ClF3N/c20-16-6-8-17(9-7-16)24-18-11-14(13-4-2-1-3-5-13)10-15(12-18)19(21,22)23/h1-12,24H
InChIKeyDATRHCYEAUMXNN-UHFFFAOYSA-N
XLogP6.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.77
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 127043193
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CID 46224824
CID 46224824
CID 127045030
CID 127045030
CID 76319030
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CID 58745559
CID 58745559
CID 29776738
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CID 141259878
CID 141259878
CID 71402988
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CID 71445965
CID 71445965

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline (CID 166066714) is N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline is FC(F)(F)c1cc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline?
The InChIKey is DATRHCYEAUMXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N/c20-16-6-8-17(9-7-16)24-18-11-14(13-4-2-1-3-5-13)10-15(12-18)19(21,22)23/h1-12,24H.
What are the key properties of N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline?
N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline has a molecular weight of 347.77 g/mol, XLogP of 6.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-phenyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 166066714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).