N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide

C20H15F3N2O — CID 46887476

IUPACN-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide
SMILESNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)16-9-6-13(7-10-16)15-8-11-17(24)18(12-15)25-19(26)14-4-2-1-3-5-14/h1-12H,24H2,(H,25,26)
InChIKeySXNSPGPBTATFRJ-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.21
Rot. Bonds3

About N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide

N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide (PubChem CID 46887476) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide
PubChem CID46887476
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC NameN-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide
SMILESNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)16-9-6-13(7-10-16)15-8-11-17(24)18(12-15)25-19(26)14-4-2-1-3-5-14/h1-12H,24H2,(H,25,26)
InChIKeySXNSPGPBTATFRJ-UHFFFAOYSA-N
XLogP5.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide?
The IUPAC name of N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide (CID 46887476) is N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide.
What is the SMILES notation for N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide?
The canonical SMILES for N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide is Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide?
The InChIKey is SXNSPGPBTATFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c21-20(22,23)16-9-6-13(7-10-16)15-8-11-17(24)18(12-15)25-19(26)14-4-2-1-3-5-14/h1-12H,24H2,(H,25,26).
What are the key properties of N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide?
N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide has a molecular weight of 356.35 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 46887476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).