N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide

C14H13FN2O4 — CID 61050877

IUPACN-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide
SMILESCCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H13FN2O4/c1-2-16(9-11-4-3-7-21-11)14(18)12-8-10(17(19)20)5-6-13(12)15/h3-8H,2,9H2,1H3
InChIKeyYLFZKXNNYJZRLJ-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.99
Rot. Bonds5

About N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide

N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide (PubChem CID 61050877) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide
PubChem CID61050877
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC NameN-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide
SMILESCCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H13FN2O4/c1-2-16(9-11-4-3-7-21-11)14(18)12-8-10(17(19)20)5-6-13(12)15/h3-8H,2,9H2,1H3
InChIKeyYLFZKXNNYJZRLJ-UHFFFAOYSA-N
XLogP2.99
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.99
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

3-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 79832071
2-bromo-5-chloro-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 103614267
N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 87024565
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 2566916
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
methyl 2-[(2-fluoro-5-nitrobenzoyl)-propylamino]acetate
CID 61050888
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 90495692
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084705
N-(furan-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 31365525
3-[ethyl-(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 62826348
2-(dimethylamino)-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 9034384

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide?
The IUPAC name of N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide (CID 61050877) is N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide is CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide?
The InChIKey is YLFZKXNNYJZRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-2-16(9-11-4-3-7-21-11)14(18)12-8-10(17(19)20)5-6-13(12)15/h3-8H,2,9H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide?
N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide has a molecular weight of 292.27 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide is sourced from PubChem (CID 61050877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).