1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide

C30H18F9N3O6 — CID 142144730

IUPAC1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C30H18F9N3O6/c31-28(32,33)46-19-10-4-16(5-11-19)40-25(43)22-2-1-3-23(26(44)41-17-6-12-20(13-7-17)47-29(34,35)36)24(22)27(45)42-18-8-14-21(15-9-18)48-30(37,38)39/h1-15H,(H,40,43)(H,41,44)(H,42,45)
InChIKeyFYAPGGVJRZFMFX-UHFFFAOYSA-N
MW687.47 g/mol
LogP8.14
Rot. Bonds9

About 1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide

1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide (PubChem CID 142144730) has the molecular formula C30H18F9N3O6 and a molecular weight of 687.47 g/mol. Its IUPAC name is 1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
PubChem CID142144730
Molecular FormulaC30H18F9N3O6
Molecular Weight687.47 g/mol
Exact Mass687.11
IUPAC Name1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C30H18F9N3O6/c31-28(32,33)46-19-10-4-16(5-11-19)40-25(43)22-2-1-3-23(26(44)41-17-6-12-20(13-7-17)47-29(34,35)36)24(22)27(45)42-18-8-14-21(15-9-18)48-30(37,38)39/h1-15H,(H,40,43)(H,41,44)(H,42,45)
InChIKeyFYAPGGVJRZFMFX-UHFFFAOYSA-N
XLogP8.14
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.47
LogP ≤ 58.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
ethyl 2-[3-[[4-(trifluoromethoxy)phenyl]carbamoyl]-2-pyridinyl]acetate
CID 1490625
2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide?
The IUPAC name of 1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide (CID 142144730) is 1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide.
What is the SMILES notation for 1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide?
The canonical SMILES for 1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide?
The InChIKey is FYAPGGVJRZFMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F9N3O6/c31-28(32,33)46-19-10-4-16(5-11-19)40-25(43)22-2-1-3-23(26(44)41-17-6-12-20(13-7-17)47-29(34,35)36)24(22)27(45)42-18-8-14-21(15-9-18)48-30(37,38)39/h1-15H,(H,40,43)(H,41,44)(H,42,45).
What are the key properties of 1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide?
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide has a molecular weight of 687.47 g/mol, XLogP of 8.14, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide is sourced from PubChem (CID 142144730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).