3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide

C14H12FN3O3 — CID 62681450

IUPAC3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccncc1
InChIInChI=1S/C14H12FN3O3/c1-9(10-4-6-16-7-5-10)17-14(19)11-2-3-13(18(20)21)12(15)8-11/h2-9H,1H3,(H,17,19)
InChIKeyVNYWWKBHZFDRNU-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.62
Rot. Bonds4

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

3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide (PubChem CID 62681450) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide
PubChem CID62681450
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccncc1
InChIInChI=1S/C14H12FN3O3/c1-9(10-4-6-16-7-5-10)17-14(19)11-2-3-13(18(20)21)12(15)8-11/h2-9H,1H3,(H,17,19)
InChIKeyVNYWWKBHZFDRNU-UHFFFAOYSA-N
XLogP2.62
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.62
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

3-hydroxy-4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 18231117
3-fluoro-4-nitro-N-(1-pyridin-3-ylethyl)benzamide
CID 62681449
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712
N-(3,3-dimethylbutan-2-yl)-3-fluoro-4-nitrobenzamide
CID 113235175
4-(4-methylphenyl)sulfanyl-3-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 112761243
N-[1-(4-bromophenyl)ethyl]-3-hydroxy-4-nitrobenzamide
CID 24544683
N-(1-cyanopropan-2-yl)-3-fluoro-4-nitrobenzamide
CID 55104035
3-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68515087
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
3-fluoro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62680932
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-4-nitrobenzamide
CID 103919912
4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 81409737

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide?
The IUPAC name of 3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide (CID 62681450) is 3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide is CC(NC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccncc1.
What is the InChIKey of 3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide?
The InChIKey is VNYWWKBHZFDRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-9(10-4-6-16-7-5-10)17-14(19)11-2-3-13(18(20)21)12(15)8-11/h2-9H,1H3,(H,17,19).
What are the key properties of 3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide?
3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide has a molecular weight of 289.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 62681450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).