2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide

C14H13FN2O3S — CID 103297295

IUPAC2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NCCc2ccsc2)c1F
InChIInChI=1S/C14H13FN2O3S/c1-9-6-11(17(19)20)7-12(13(9)15)14(18)16-4-2-10-3-5-21-8-10/h3,5-8H,2,4H2,1H3,(H,16,18)
InChIKeyITKFCNRCUBFRHC-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.08
Rot. Bonds5

About 2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide

2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide (PubChem CID 103297295) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide
PubChem CID103297295
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NCCc2ccsc2)c1F
InChIInChI=1S/C14H13FN2O3S/c1-9-6-11(17(19)20)7-12(13(9)15)14(18)16-4-2-10-3-5-21-8-10/h3,5-8H,2,4H2,1H3,(H,16,18)
InChIKeyITKFCNRCUBFRHC-UHFFFAOYSA-N
XLogP3.08
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
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-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
2-fluoro-3-methyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 103297088
N-(2-cyanoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297255
2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-3-methyl-5-nitrobenzamide
CID 103297778
2-fluoro-N-(4-methoxybutyl)-3-methyl-5-nitrobenzamide
CID 103297310
2-fluoro-3-methyl-5-nitro-N-prop-2-ynylbenzamide
CID 103297090
2-fluoro-N-[(2S)-2-hydroxypropyl]-3-methyl-5-nitrobenzamide
CID 103297676
N-[3-(cyclopropylamino)propyl]-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297688
2-fluoro-3-methyl-5-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 103297521
2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-nitrobenzamide
CID 103297316
N-(2-cyano-2-methylpropyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297598
3-hydrazinyl-2-nitro-N-(2-thiophen-3-ylethyl)benzamide
CID 115549494

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide (CID 103297295) is 2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide is Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2ccsc2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide?
The InChIKey is ITKFCNRCUBFRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-9-6-11(17(19)20)7-12(13(9)15)14(18)16-4-2-10-3-5-21-8-10/h3,5-8H,2,4H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide?
2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide has a molecular weight of 308.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-nitro-N-(2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 103297295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).