4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide

C13H11FN2O4 — CID 61216287

IUPAC4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide
SMILESCN(Cc1ccoc1)C(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11FN2O4/c1-15(7-9-4-5-20-8-9)13(17)10-2-3-11(14)12(6-10)16(18)19/h2-6,8H,7H2,1H3
InChIKeyGWSRFEPSPFMOOE-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.60
Rot. Bonds4

About 4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide

4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide (PubChem CID 61216287) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide
PubChem CID61216287
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide
SMILESCN(Cc1ccoc1)C(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11FN2O4/c1-15(7-9-4-5-20-8-9)13(17)10-2-3-11(14)12(6-10)16(18)19/h2-6,8H,7H2,1H3
InChIKeyGWSRFEPSPFMOOE-UHFFFAOYSA-N
XLogP2.60
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.60
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

4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-nitrobenzamide
CID 61426456
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-nitrobenzamide
CID 63693985
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-nitrobenzamide
CID 9482800
N-butyl-4-fluoro-N-methyl-3-nitrobenzamide
CID 43244068
4-fluoro-N-methyl-N-[2-(4-methylphenyl)ethyl]-3-nitrobenzamide
CID 139212924
4-fluoro-N-methyl-N-(3-methylbutyl)-3-nitrobenzamide
CID 55025109
1-[4-[furan-3-ylmethyl(methyl)amino]-3-nitrophenyl]ethanone
CID 47357912
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919
4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046947
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanyl-3-nitrobenzamide
CID 27795562
3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitrobenzamide
CID 62681106
N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3,5-dinitrobenzamide
CID 78770425

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide (CID 61216287) is 4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide is CN(Cc1ccoc1)C(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide?
The InChIKey is GWSRFEPSPFMOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-15(7-9-4-5-20-8-9)13(17)10-2-3-11(14)12(6-10)16(18)19/h2-6,8H,7H2,1H3.
What are the key properties of 4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide?
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide has a molecular weight of 278.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 61216287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).