N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide

C15H13FN2O3 — CID 43377488

IUPACN-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H13FN2O3/c1-17(10-11-5-3-2-4-6-11)15(19)13-9-12(18(20)21)7-8-14(13)16/h2-9H,10H2,1H3
InChIKeyFEKJNAHBXLQPSS-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.01
Rot. Bonds4

About N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide

N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide (PubChem CID 43377488) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
PubChem CID43377488
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC NameN-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
SMILESCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C15H13FN2O3/c1-17(10-11-5-3-2-4-6-11)15(19)13-9-12(18(20)21)7-8-14(13)16/h2-9H,10H2,1H3
InChIKeyFEKJNAHBXLQPSS-UHFFFAOYSA-N
XLogP3.01
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2-fluoro-5-nitrobenzoyl)-methylamino]propanoic acid
CID 60989798
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 25474038
2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide
CID 46404947
methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
CID 43377543
(2-fluoro-5-nitrophenyl)methyl-methylcarbamic acid
CID 122652855
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61041053
2-(2-fluorophenyl)sulfanyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 78832215
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 43564505
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-5-nitrobenzamide
CID 78801742
2-fluoro-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207742
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide?
The IUPAC name of N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide (CID 43377488) is N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide.
What is the SMILES notation for N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide?
The canonical SMILES for N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide is CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide?
The InChIKey is FEKJNAHBXLQPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-17(10-11-5-3-2-4-6-11)15(19)13-9-12(18(20)21)7-8-14(13)16/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide?
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide has a molecular weight of 288.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 43377488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).