2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide

C14H12FN3O3 — CID 60902986

IUPAC2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H12FN3O3/c15-13-2-1-11(18(20)21)9-12(13)14(19)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9H,5,8H2,(H,17,19)
InChIKeyJUMCCMRTNXHHSX-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.10
Rot. Bonds5

About 2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide

2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 60902986) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID60902986
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide
SMILESO=C(NCCc1ccncc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H12FN3O3/c15-13-2-1-11(18(20)21)9-12(13)14(19)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9H,5,8H2,(H,17,19)
InChIKeyJUMCCMRTNXHHSX-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

2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
CID 43808767
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
2-fluoro-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63823726
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
2-fluoro-N-(2-imidazol-1-ylethyl)-5-nitrobenzamide
CID 61325737
2-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-nitrobenzamide
CID 103809575
5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide
CID 102741309
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide
CID 106013508

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide (CID 60902986) is 2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide is O=C(NCCc1ccncc1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is JUMCCMRTNXHHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-13-2-1-11(18(20)21)9-12(13)14(19)17-8-5-10-3-6-16-7-4-10/h1-4,6-7,9H,5,8H2,(H,17,19).
What are the key properties of 2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide?
2-fluoro-5-nitro-N-(2-pyridin-4-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 2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 60902986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).