4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide

C13H11FN2O3S — CID 43399300

IUPAC4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C13H11FN2O3S/c1-8(12-3-2-6-20-12)15-13(17)9-4-5-10(14)11(7-9)16(18)19/h2-8H,1H3,(H,15,17)
InChIKeyCGHUWZNTJZMOCE-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.29
Rot. Bonds4

About 4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide

4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 43399300) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID43399300
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(F)c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C13H11FN2O3S/c1-8(12-3-2-6-20-12)15-13(17)9-4-5-10(14)11(7-9)16(18)19/h2-8H,1H3,(H,15,17)
InChIKeyCGHUWZNTJZMOCE-UHFFFAOYSA-N
XLogP3.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.29
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

2,5-difluoro-4-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 104699258
2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 31667761
4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 24515082
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
4-fluoro-N-(1-methylsulfanylpropan-2-yl)-3-nitrobenzamide
CID 113238450
4-fluoro-N-(5-methylhexan-2-yl)-3-nitrobenzamide
CID 60659842
N-(3-ethylpentan-2-yl)-4-fluoro-3-nitrobenzamide
CID 63836885
3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63186296
4-fluoro-N-hexan-2-yl-3-nitrobenzamide
CID 62198938
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide (CID 43399300) is 4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide is CC(NC(=O)c1ccc(F)c([N+](=O)[O-])c1)c1cccs1.
What is the InChIKey of 4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is CGHUWZNTJZMOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-8(12-3-2-6-20-12)15-13(17)9-4-5-10(14)11(7-9)16(18)19/h2-8H,1H3,(H,15,17).
What are the key properties of 4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide?
4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 43399300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).