4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide

C14H13FN2O3S — CID 79046947

IUPAC4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13FN2O3S/c1-16(7-6-11-3-2-8-21-11)14(18)10-4-5-12(15)13(9-10)17(19)20/h2-5,8-9H,6-7H2,1H3
InChIKeyMNFAMXAMJGPOFV-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.11
Rot. Bonds5

About 4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide

4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 79046947) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID79046947
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13FN2O3S/c1-16(7-6-11-3-2-8-21-11)14(18)10-4-5-12(15)13(9-10)17(19)20/h2-5,8-9H,6-7H2,1H3
InChIKeyMNFAMXAMJGPOFV-UHFFFAOYSA-N
XLogP3.11
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.11
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-chloro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046946
3-hydroxy-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103712023
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-nitrobenzamide
CID 63693985
4-fluoro-N-methyl-N-[2-(4-methylphenyl)ethyl]-3-nitrobenzamide
CID 139212924
N-butyl-4-fluoro-N-methyl-3-nitrobenzamide
CID 43244068
4-fluoro-N-methyl-N-(3-methylbutyl)-3-nitrobenzamide
CID 55025109
3-hydroxy-N-methyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 18114264
2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103800351
3-chloro-N-methyl-4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 82781483
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-3-nitrobenzamide
CID 61216287
4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79494740
2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036837

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide (CID 79046947) is 4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide is CN(CCc1cccs1)C(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is MNFAMXAMJGPOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-16(7-6-11-3-2-8-21-11)14(18)10-4-5-12(15)13(9-10)17(19)20/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide?
4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 308.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 79046947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).