N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide

C20H16F3NO2 — CID 5305518

IUPACN-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)13-7-5-12(6-8-13)19(25)24-14-9-10-18-16(11-14)15-3-1-2-4-17(15)26-18/h5-11H,1-4H2,(H,24,25)
InChIKeyUSEFNEAIZMFHQK-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.58
Rot. Bonds2

About N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide

N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 5305518) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID5305518
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC NameN-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)13-7-5-12(6-8-13)19(25)24-14-9-10-18-16(11-14)15-3-1-2-4-17(15)26-18/h5-11H,1-4H2,(H,24,25)
InChIKeyUSEFNEAIZMFHQK-UHFFFAOYSA-N
XLogP5.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Dibenzofuranamine
CID 19405
Acetamide, N-3-dibenzofuranyl-
CID 22087
2-(3-Methyl-4-Oxo-3,4-Dihydrophthalazin-1-Yl)-N-(6,7,8,9-Tetrahydrodibenzo[b,D]furan-2-Yl)acetamide
CID 71552341
N-[4-(1-benzofuran-2-yl)phenyl]acetamide
CID 660707
methyl N-[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamate
CID 17956992
Methyl 3-(2-isobutyramidoethyl)benzofuran-5-ylcarbamate
CID 17957007
methyl N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]carbamate
CID 18174981
N-(2-methylbenzofuran-5-yl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 71552340
N-dibenzofuran-2-yl-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 71552342
N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 153523840
N-(6,7,8,9-Tetrahydro-dibenzofuran-2-yl)-succinamic acid methyl ester
CID 6485557
N-[4-oxo-2-[4-(trifluoromethyl)phenyl]chromen-6-yl]acetamide
CID 49864147

Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide (CID 5305518) is N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1ccc2oc3c(c2c1)CCCC3)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is USEFNEAIZMFHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)13-7-5-12(6-8-13)19(25)24-14-9-10-18-16(11-14)15-3-1-2-4-17(15)26-18/h5-11H,1-4H2,(H,24,25).
What are the key properties of N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide?
N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 359.35 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 5305518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).