N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide

C21H17F3N2O — CID 87783673

IUPACN-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide
SMILESNc1ccc(-c2ccccc2CN(C(=O)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C21H17F3N2O/c22-21(23,24)20(27)26(18-7-2-1-3-8-18)14-16-6-4-5-9-19(16)15-10-12-17(25)13-11-15/h1-13H,14,25H2
InChIKeyYPKGYXHNXWXYDK-UHFFFAOYSA-N
MW370.37 g/mol
LogP5.03
Rot. Bonds4

About N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide

N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide (PubChem CID 87783673) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide.

Molecular Properties

Compound NameN-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide
PubChem CID87783673
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide
SMILESNc1ccc(-c2ccccc2CN(C(=O)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C21H17F3N2O/c22-21(23,24)20(27)26(18-7-2-1-3-8-18)14-16-6-4-5-9-19(16)15-10-12-17(25)13-11-15/h1-13H,14,25H2
InChIKeyYPKGYXHNXWXYDK-UHFFFAOYSA-N
XLogP5.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide
CID 87326085
N-(4-aminophenyl)-N-[4-(4-amino-N-(2,2,2-trifluoroacetyl)anilino)phenyl]-2,2,2-trifluoroacetamide
CID 102518969
(4-aminophenyl)-benzylcarbamic acid
CID 69046621
N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 23404910
(2-fluorophenyl)methyl-phenylcarbamic acid
CID 68974867
2,2-dimethyl-3-[methyl-[(2-phenylphenyl)methyl]amino]-3-oxopropanoic acid
CID 132970980
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-phenoxyphenyl)acetamide
CID 1159356
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 1159357
1-(4-aminophenyl)-1-benzylurea
CID 154248103
2,2,2-trifluoro-N-oxido-N-phenylacetamide
CID 88752204
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide
CID 19733750

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide?
The IUPAC name of N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide (CID 87783673) is N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide.
What is the SMILES notation for N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide?
The canonical SMILES for N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide is Nc1ccc(-c2ccccc2CN(C(=O)C(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide?
The InChIKey is YPKGYXHNXWXYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c22-21(23,24)20(27)26(18-7-2-1-3-8-18)14-16-6-4-5-9-19(16)15-10-12-17(25)13-11-15/h1-13H,14,25H2.
What are the key properties of N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide?
N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide has a molecular weight of 370.37 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide is sourced from PubChem (CID 87783673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).