N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide

C28H18N2O4 — CID 38113246

IUPACN-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C28H18N2O4/c29-16-19-7-1-4-10-23(19)30-28(32)21-9-3-5-11-25(21)33-17-24(31)18-13-14-27-22(15-18)20-8-2-6-12-26(20)34-27/h1-15H,17H2,(H,30,32)
InChIKeyAPRTUDPWNBKWER-UHFFFAOYSA-N
MW446.46 g/mol
LogP5.97
Rot. Bonds6

About N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide

N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide (PubChem CID 38113246) has the molecular formula C28H18N2O4 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide
PubChem CID38113246
Molecular FormulaC28H18N2O4
Molecular Weight446.46 g/mol
Exact Mass446.13
IUPAC NameN-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C28H18N2O4/c29-16-19-7-1-4-10-23(19)30-28(32)21-9-3-5-11-25(21)33-17-24(31)18-13-14-27-22(15-18)20-8-2-6-12-26(20)34-27/h1-15H,17H2,(H,30,32)
InChIKeyAPRTUDPWNBKWER-UHFFFAOYSA-N
XLogP5.97
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-propoxybenzamide
CID 4947824
N-dibenzofuran-2-yl-2-ethoxybenzamide
CID 16552367
N-(2-cyanophenyl)-2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]benzamide
CID 38113749
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
N-(2-iodophenyl)dibenzofuran-2-carboxamide
CID 18876166
N-[(2-cyanophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355902
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 6468576

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide (CID 38113246) is N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide is N#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide?
The InChIKey is APRTUDPWNBKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O4/c29-16-19-7-1-4-10-23(19)30-28(32)21-9-3-5-11-25(21)33-17-24(31)18-13-14-27-22(15-18)20-8-2-6-12-26(20)34-27/h1-15H,17H2,(H,30,32).
What are the key properties of N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide?
N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide has a molecular weight of 446.46 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-dibenzofuran-2-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 38113246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).