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

C15H10F6N2O2 — CID 90317246

IUPAC2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESNc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F6N2O2/c16-14(17,18)8-1-6-11(12(22)7-8)13(24)23-9-2-4-10(5-3-9)25-15(19,20)21/h1-7H,22H2,(H,23,24)
InChIKeyPPSAKKHQTYPXFO-UHFFFAOYSA-N
MW364.25 g/mol
LogP4.44
Rot. Bonds3

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

2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 90317246) has the molecular formula C15H10F6N2O2 and a molecular weight of 364.25 g/mol. Its IUPAC name is 2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID90317246
Molecular FormulaC15H10F6N2O2
Molecular Weight364.25 g/mol
Exact Mass364.06
IUPAC Name2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESNc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H10F6N2O2/c16-14(17,18)8-1-6-11(12(22)7-8)13(24)23-9-2-4-10(5-3-9)25-15(19,20)21/h1-7H,22H2,(H,23,24)
InChIKeyPPSAKKHQTYPXFO-UHFFFAOYSA-N
XLogP4.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
2-amino-4-bromo-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 90317223
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
4-amino-N-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642905
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
2-amino-4-(trifluoromethyl)benzohydrazide;ethane
CID 145124989
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
4-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzoyl]amino]benzoic acid
CID 138748534
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide (CID 90317246) is 2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide is Nc1cc(C(F)(F)F)ccc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is PPSAKKHQTYPXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2O2/c16-14(17,18)8-1-6-11(12(22)7-8)13(24)23-9-2-4-10(5-3-9)25-15(19,20)21/h1-7H,22H2,(H,23,24).
What are the key properties of 2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide?
2-amino-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 364.25 g/mol, XLogP of 4.44, 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-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90317246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).