2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide

C13H10F2N2O3S — CID 104699258

IUPAC2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1cccs1
InChIInChI=1S/C13H10F2N2O3S/c1-7(12-3-2-4-21-12)16-13(18)8-5-10(15)11(17(19)20)6-9(8)14/h2-7H,1H3,(H,16,18)
InChIKeyYYGQUSCXGNCHOI-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.43
Rot. Bonds4

About 2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide

2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 104699258) has the molecular formula C13H10F2N2O3S and a molecular weight of 312.30 g/mol. Its IUPAC name is 2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID104699258
Molecular FormulaC13H10F2N2O3S
Molecular Weight312.30 g/mol
Exact Mass312.04
IUPAC Name2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1cccs1
InChIInChI=1S/C13H10F2N2O3S/c1-7(12-3-2-4-21-12)16-13(18)8-5-10(15)11(17(19)20)6-9(8)14/h2-7H,1H3,(H,16,18)
InChIKeyYYGQUSCXGNCHOI-UHFFFAOYSA-N
XLogP3.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.43
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

4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 43399300
2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 115766373
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649
2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 31667761
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688
2,5-difluoro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856245
N-(4-amino-4-oxobutan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104705350
2-amino-3-chloro-5-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 107200057
N-(1-cyanopropan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104699357
N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104699393
4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 24515082
2-(5-fluoro-2-nitrophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 78484094

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide (CID 104699258) is 2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide is CC(NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1cccs1.
What is the InChIKey of 2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is YYGQUSCXGNCHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3S/c1-7(12-3-2-4-21-12)16-13(18)8-5-10(15)11(17(19)20)6-9(8)14/h2-7H,1H3,(H,16,18).
What are the key properties of 2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide?
2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 312.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 104699258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).