5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide

C14H12FN3O3 — CID 60913756

IUPAC5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1cccnc1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FN3O3/c15-11-3-4-13(18(20)21)12(8-11)14(19)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7H2,(H,17,19)
InChIKeyOIVXQMBKDNHRGR-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.10
Rot. Bonds5

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

5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide (PubChem CID 60913756) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide
PubChem CID60913756
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1cccnc1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FN3O3/c15-11-3-4-13(18(20)21)12(8-11)14(19)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7H2,(H,17,19)
InChIKeyOIVXQMBKDNHRGR-UHFFFAOYSA-N
XLogP2.10
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.10
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

5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 60876600
5-fluoro-N-[2-(methylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 119502800
2-methoxy-5-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 30889614
2-fluoro-4-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104928329
5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide
CID 102741309
N-(4-amino-4-oxobutyl)-5-fluoro-2-nitrobenzamide
CID 60875259
4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 25349409
5-fluoro-N-hexyl-2-nitrobenzamide
CID 61041520
5-fluoro-2-nitro-N-pent-4-ynylbenzamide
CID 113245104
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776
N-(2-ethoxyethyl)-5-fluoro-2-nitrobenzamide
CID 60877547
N-(3-cyanopropyl)-5-fluoro-2-nitrobenzamide
CID 62667750

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide (CID 60913756) is 5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide is O=C(NCCc1cccnc1)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide?
The InChIKey is OIVXQMBKDNHRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-11-3-4-13(18(20)21)12(8-11)14(19)17-7-5-10-2-1-6-16-9-10/h1-4,6,8-9H,5,7H2,(H,17,19).
What are the key properties of 5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide?
5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide has a molecular weight of 289.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 60913756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).