N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide

C21H16N2O5 — CID 21105721

IUPACN-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide
SMILESCOc1ccc(C(=O)NCc2ccccc2)c2c1oc1ccc([N+](=O)[O-])cc12
InChIInChI=1S/C21H16N2O5/c1-27-18-10-8-15(21(24)22-12-13-5-3-2-4-6-13)19-16-11-14(23(25)26)7-9-17(16)28-20(18)19/h2-11H,12H2,1H3,(H,22,24)
InChIKeyFFLMVAIIQUYCRC-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.43
Rot. Bonds5

About N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide

N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide (PubChem CID 21105721) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide
PubChem CID21105721
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC NameN-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide
SMILESCOc1ccc(C(=O)NCc2ccccc2)c2c1oc1ccc([N+](=O)[O-])cc12
InChIInChI=1S/C21H16N2O5/c1-27-18-10-8-15(21(24)22-12-13-5-3-2-4-6-13)19-16-11-14(23(25)26)7-9-17(16)28-20(18)19/h2-11H,12H2,1H3,(H,22,24)
InChIKeyFFLMVAIIQUYCRC-UHFFFAOYSA-N
XLogP4.43
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxy-8-nitrodibenzofuran-1-yl)ethenyl] benzoate
CID 42639796
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256
4-fluoro-2-methoxy-N-[(3-nitrophenyl)methyl]-5-phenylbenzamide
CID 22093469
N-benzyl-2-[2-(2-methoxy-4-nitroanilino)-2-oxoethoxy]benzamide
CID 18077087
3,5-dichloro-4-[2-(4-methoxy-8-nitrodibenzofuran-1-yl)ethyl]-1-oxidopyridin-1-ium
CID 123184888
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
N-[(2-chlorophenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 9209754
N-benzyl-1-[(2-methoxy-5-nitrophenyl)methyl]piperidine-4-carboxamide
CID 27106961
methyl 2,3-dihydroxy-4-[(4-nitrophenyl)methylcarbamoyl]benzoate
CID 25026688
N-benzyl-5-methoxy-2-nitro-4-phenylmethoxybenzamide
CID 139213694
N-benzyl-2-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzamide
CID 2301794
2-methoxy-5-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 8546210

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide?
The IUPAC name of N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide (CID 21105721) is N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide.
What is the SMILES notation for N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide?
The canonical SMILES for N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide is COc1ccc(C(=O)NCc2ccccc2)c2c1oc1ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide?
The InChIKey is FFLMVAIIQUYCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-27-18-10-8-15(21(24)22-12-13-5-3-2-4-6-13)19-16-11-14(23(25)26)7-9-17(16)28-20(18)19/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide?
N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-8-nitrodibenzofuran-1-carboxamide is sourced from PubChem (CID 21105721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).