3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

C21H17F3N2O — CID 69043668

IUPAC3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccc(N)c1
InChIInChI=1S/C21H17F3N2O/c1-13-8-9-15(11-19(13)14-4-2-6-17(25)10-14)20(27)26-18-7-3-5-16(12-18)21(22,23)24/h2-12H,25H2,1H3,(H,26,27)
InChIKeyXNKDHTWOOCLROJ-UHFFFAOYSA-N
MW370.37 g/mol
LogP5.52
Rot. Bonds3

About 3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 69043668) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID69043668
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccc(N)c1
InChIInChI=1S/C21H17F3N2O/c1-13-8-9-15(11-19(13)14-4-2-6-17(25)10-14)20(27)26-18-7-3-5-16(12-18)21(22,23)24/h2-12H,25H2,1H3,(H,26,27)
InChIKeyXNKDHTWOOCLROJ-UHFFFAOYSA-N
XLogP5.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 68505609
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
N-[3-(2-aminoquinolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59437987
3-[5-cyano-6-(methylamino)-3-pyridinyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 130404988
3-(2-amino-7-hydroxy-8-phenylquinazolin-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 137143953
methyl 4-methyl-3-[3-(trifluoromethyl)phenyl]benzoate
CID 67169724
4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107073831
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 165142528

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 69043668) is 3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XNKDHTWOOCLROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c1-13-8-9-15(11-19(13)14-4-2-6-17(25)10-14)20(27)26-18-7-3-5-16(12-18)21(22,23)24/h2-12H,25H2,1H3,(H,26,27).
What are the key properties of 3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 370.37 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 69043668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).