N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide

C21H11F6NO2 — CID 18876143

IUPACN-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H11F6NO2/c22-20(23,24)12-8-13(21(25,26)27)10-14(9-12)28-19(29)11-5-6-18-16(7-11)15-3-1-2-4-17(15)30-18/h1-10H,(H,28,29)
InChIKeyOBAVFFXFXUNRFE-UHFFFAOYSA-N
MW423.31 g/mol
LogP6.88
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide (PubChem CID 18876143) has the molecular formula C21H11F6NO2 and a molecular weight of 423.31 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide
PubChem CID18876143
Molecular FormulaC21H11F6NO2
Molecular Weight423.31 g/mol
Exact Mass423.07
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C21H11F6NO2/c22-20(23,24)12-8-13(21(25,26)27)10-14(9-12)28-19(29)11-5-6-18-16(7-11)15-3-1-2-4-17(15)30-18/h1-10H,(H,28,29)
InChIKeyOBAVFFXFXUNRFE-UHFFFAOYSA-N
XLogP6.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.31
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-3-yl-3-(trifluoromethyl)benzamide
CID 2876758
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
1-dibenzofuran-2-yl-3-[3-(trifluoromethyl)phenyl]urea
CID 2421709
N-(2-iodophenyl)dibenzofuran-2-carboxamide
CID 18876166
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
N-dibenzofuran-2-yl-3-iodobenzamide
CID 16552353
N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide
CID 10276840
N-dibenzofuran-2-yl-2,2,2-trifluoroacetamide
CID 5196274
dibenzofuran-2-yl 4-(trifluoromethyl)benzoate
CID 2472761
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide (CID 18876143) is N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide?
The InChIKey is OBAVFFXFXUNRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F6NO2/c22-20(23,24)12-8-13(21(25,26)27)10-14(9-12)28-19(29)11-5-6-18-16(7-11)15-3-1-2-4-17(15)30-18/h1-10H,(H,28,29).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide has a molecular weight of 423.31 g/mol, XLogP of 6.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]dibenzofuran-2-carboxamide is sourced from PubChem (CID 18876143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).