[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide

C20H14F3N3 — CID 175923781

IUPAC[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide
SMILESN#CNc1ccc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H14F3N3/c21-20(22,23)15-7-11-17(12-8-15)26-19-4-2-1-3-18(19)14-5-9-16(10-6-14)25-13-24/h1-12,25-26H
InChIKeyAQNJRRCRUZUKBV-UHFFFAOYSA-N
MW353.35 g/mol
LogP6.01
Rot. Bonds4

About [4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide

[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide (PubChem CID 175923781) has the molecular formula C20H14F3N3 and a molecular weight of 353.35 g/mol. Its IUPAC name is [4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide.

Molecular Properties

Compound Name[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide
PubChem CID175923781
Molecular FormulaC20H14F3N3
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide
SMILESN#CNc1ccc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H14F3N3/c21-20(22,23)15-7-11-17(12-8-15)26-19-4-2-1-3-18(19)14-5-9-16(10-6-14)25-13-24/h1-12,25-26H
InChIKeyAQNJRRCRUZUKBV-UHFFFAOYSA-N
XLogP6.01
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.35
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169108707
1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
CID 169108594
N,2-bis(4-tert-butylphenyl)aniline
CID 176593215
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
2-(2-bromoethynyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 143581893
2-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 175930738
benzene;N,2-diphenylaniline
CID 175029921
2-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 155211848
methyl-[1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,3,4-oxadiazol-2-yl]ethyl]cyanamide
CID 147374188
N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 152781290

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide?
The IUPAC name of [4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide (CID 175923781) is [4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide.
What is the SMILES notation for [4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide?
The canonical SMILES for [4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide is N#CNc1ccc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide?
The InChIKey is AQNJRRCRUZUKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3/c21-20(22,23)15-7-11-17(12-8-15)26-19-4-2-1-3-18(19)14-5-9-16(10-6-14)25-13-24/h1-12,25-26H.
What are the key properties of [4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide?
[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide has a molecular weight of 353.35 g/mol, XLogP of 6.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide is sourced from PubChem (CID 175923781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).