N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide

C19H16N2O4 — CID 18830831

IUPACN-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
SMILESO=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H16N2O4/c22-19(17-10-4-5-11-18(17)21(23)24)20(14-16-9-6-12-25-16)13-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyQAGXEXDWYAXCPB-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.03
Rot. Bonds6

About N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide

N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide (PubChem CID 18830831) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
PubChem CID18830831
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
SMILESO=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H16N2O4/c22-19(17-10-4-5-11-18(17)21(23)24)20(14-16-9-6-12-25-16)13-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyQAGXEXDWYAXCPB-UHFFFAOYSA-N
XLogP4.03
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-benzyl-N-(furan-2-ylmethyl)-4-methoxy-3-nitrobenzamide
CID 34907145
N-benzyl-N-(furan-2-ylmethyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 37429795
N-benzyl-N-(furan-2-ylmethyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 37428479
N,N-dibenzyl-5-chloro-2-nitrobenzamide
CID 1222313
2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 58892098
N-benzyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738052
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-ethyl-2-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 3286092
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide (CID 18830831) is N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide is O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide?
The InChIKey is QAGXEXDWYAXCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-19(17-10-4-5-11-18(17)21(23)24)20(14-16-9-6-12-25-16)13-15-7-2-1-3-8-15/h1-12H,13-14H2.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide?
N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide has a molecular weight of 336.35 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-2-nitrobenzamide is sourced from PubChem (CID 18830831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).