2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C20H13F6N3O — CID 10455072

IUPAC2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H13F6N3O/c21-19(22,23)12-4-6-13(7-5-12)29-18(30)14-8-3-11(10-16(14)27)17-15(20(24,25)26)2-1-9-28-17/h1-10H,27H2,(H,29,30)
InChIKeyIIDQIRKPHZXDCO-UHFFFAOYSA-N
MW425.33 g/mol
LogP5.62
Rot. Bonds3

About 2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 10455072) has the molecular formula C20H13F6N3O and a molecular weight of 425.33 g/mol. Its IUPAC name is 2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID10455072
Molecular FormulaC20H13F6N3O
Molecular Weight425.33 g/mol
Exact Mass425.10
IUPAC Name2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESNc1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H13F6N3O/c21-19(22,23)12-4-6-13(7-5-12)29-18(30)14-8-3-11(10-16(14)27)17-15(20(24,25)26)2-1-9-28-17/h1-10H,27H2,(H,29,30)
InChIKeyIIDQIRKPHZXDCO-UHFFFAOYSA-N
XLogP5.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 10455072) is 2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is Nc1cc(-c2ncccc2C(F)(F)F)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is IIDQIRKPHZXDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N3O/c21-19(22,23)12-4-6-13(7-5-12)29-18(30)14-8-3-11(10-16(14)27)17-15(20(24,25)26)2-1-9-28-17/h1-10H,27H2,(H,29,30).
What are the key properties of 2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 425.33 g/mol, XLogP of 5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 10455072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).