2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

C21H13F5N2O2 — CID 26289494

IUPAC2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C21H13F5N2O2/c22-16-8-3-9-17(23)18(16)20(30)28-14-6-1-4-12(10-14)19(29)27-15-7-2-5-13(11-15)21(24,25)26/h1-11H,(H,27,29)(H,28,30)
InChIKeyINKWCXYFQNDVSN-UHFFFAOYSA-N
MW420.34 g/mol
LogP5.49
Rot. Bonds4

About 2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 26289494) has the molecular formula C21H13F5N2O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
PubChem CID26289494
Molecular FormulaC21H13F5N2O2
Molecular Weight420.34 g/mol
Exact Mass420.09
IUPAC Name2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C21H13F5N2O2/c22-16-8-3-9-17(23)18(16)20(30)28-14-6-1-4-12(10-14)19(29)27-15-7-2-5-13(11-15)21(24,25)26/h1-11H,(H,27,29)(H,28,30)
InChIKeyINKWCXYFQNDVSN-UHFFFAOYSA-N
XLogP5.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
2,6-difluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264507
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (CID 26289494) is 2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of 2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is INKWCXYFQNDVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F5N2O2/c22-16-8-3-9-17(23)18(16)20(30)28-14-6-1-4-12(10-14)19(29)27-15-7-2-5-13(11-15)21(24,25)26/h1-11H,(H,27,29)(H,28,30).
What are the key properties of 2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 420.34 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 26289494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).