2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide

C22H14F6N2O2 — CID 53437295

IUPAC2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide
SMILESNC(=O)c1ccccc1C(=O)N(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H14F6N2O2/c23-21(24,25)13-5-3-7-15(11-13)30(16-8-4-6-14(12-16)22(26,27)28)20(32)18-10-2-1-9-17(18)19(29)31/h1-12H,(H2,29,31)
InChIKeyUTMFASYPMCKZRI-UHFFFAOYSA-N
MW452.35 g/mol
LogP5.80
Rot. Bonds4

About 2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide

2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide (PubChem CID 53437295) has the molecular formula C22H14F6N2O2 and a molecular weight of 452.35 g/mol. Its IUPAC name is 2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide
PubChem CID53437295
Molecular FormulaC22H14F6N2O2
Molecular Weight452.35 g/mol
Exact Mass452.10
IUPAC Name2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide
SMILESNC(=O)c1ccccc1C(=O)N(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H14F6N2O2/c23-21(24,25)13-5-3-7-15(11-13)30(16-8-4-6-14(12-16)22(26,27)28)20(32)18-10-2-1-9-17(18)19(29)31/h1-12H,(H2,29,31)
InChIKeyUTMFASYPMCKZRI-UHFFFAOYSA-N
XLogP5.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.35
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methoxy-[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 121454327
3-[N-carbamoyl-3-(trifluoromethyl)anilino]benzoic acid
CID 18471636
4-[N-carbamoyl-3-(trifluoromethyl)anilino]benzoic acid
CID 70144203
2-benzylidene-N',N'-bis[3-(trifluoromethyl)phenyl]propanediamide
CID 87963755
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22245166
2-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanoylamino]benzamide
CID 132668719
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 118041352
3-[N-carbamothioyl-3-(trifluoromethyl)anilino]propanoate
CID 7312525
2-[4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanoylamino]benzamide
CID 53286910

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide?
The IUPAC name of 2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide (CID 53437295) is 2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide is NC(=O)c1ccccc1C(=O)N(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide?
The InChIKey is UTMFASYPMCKZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N2O2/c23-21(24,25)13-5-3-7-15(11-13)30(16-8-4-6-14(12-16)22(26,27)28)20(32)18-10-2-1-9-17(18)19(29)31/h1-12H,(H2,29,31).
What are the key properties of 2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide?
2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide has a molecular weight of 452.35 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis[3-(trifluoromethyl)phenyl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 53437295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).