N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline

C26H19ClF3NO — CID 162534506

IUPACN-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2Cl)c1
InChIInChI=1S/C26H19ClF3NO/c27-24-17-8-7-16-23(24)25(19-10-3-1-4-11-19,20-12-5-2-6-13-20)31-21-14-9-15-22(18-21)32-26(28,29)30/h1-18,31H
InChIKeyFVFVYTJUFUBXIJ-UHFFFAOYSA-N
MW453.89 g/mol
LogP7.64
Rot. Bonds6

About N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline

N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline (PubChem CID 162534506) has the molecular formula C26H19ClF3NO and a molecular weight of 453.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline
PubChem CID162534506
Molecular FormulaC26H19ClF3NO
Molecular Weight453.89 g/mol
Exact Mass453.11
IUPAC NameN-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2Cl)c1
InChIInChI=1S/C26H19ClF3NO/c27-24-17-8-7-16-23(24)25(19-10-3-1-4-11-19,20-12-5-2-6-13-20)31-21-14-9-15-22(18-21)32-26(28,29)30/h1-18,31H
InChIKeyFVFVYTJUFUBXIJ-UHFFFAOYSA-N
XLogP7.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.89
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 60531938
[4-[[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl]amino]phenyl]-diphenylmethanol
CID 67679535
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
trifluoromethoxybenzene
CID 157402708
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 53488807
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166
3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 46920090
6-chloro-N-[3-(trifluoromethoxy)phenyl]pyridazin-3-amine
CID 43151729

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline?
The IUPAC name of N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline (CID 162534506) is N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline is FC(F)(F)Oc1cccc(NC(c2ccccc2)(c2ccccc2)c2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline?
The InChIKey is FVFVYTJUFUBXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3NO/c27-24-17-8-7-16-23(24)25(19-10-3-1-4-11-19,20-12-5-2-6-13-20)31-21-14-9-15-22(18-21)32-26(28,29)30/h1-18,31H.
What are the key properties of N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline?
N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline has a molecular weight of 453.89 g/mol, XLogP of 7.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 162534506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).