2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide

C14H12FN3O3 — CID 43524403

IUPAC2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccn1
InChIInChI=1S/C14H12FN3O3/c1-9(13-4-2-3-7-16-13)17-14(19)11-8-10(18(20)21)5-6-12(11)15/h2-9H,1H3,(H,17,19)
InChIKeyZYWWVOGQJQPEEX-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.62
Rot. Bonds4

About 2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide

2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 43524403) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID43524403
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccn1
InChIInChI=1S/C14H12FN3O3/c1-9(13-4-2-3-7-16-13)17-14(19)11-8-10(18(20)21)5-6-12(11)15/h2-9H,1H3,(H,17,19)
InChIKeyZYWWVOGQJQPEEX-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

5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
CID 61092654
(2R)-2-[(2-fluoro-5-nitrobenzoyl)amino]propanoic acid
CID 54991135
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
2-fluoro-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106211222
3-[(2-fluoro-5-nitrobenzoyl)amino]butanoic acid
CID 43808757
2-fluoro-N-(4-hydroxypentan-2-yl)-5-nitrobenzamide
CID 113376183
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-5-nitrobenzamide
CID 61041847
4-methylsulfanyl-3-nitro-N-(1-pyridin-2-ylethyl)benzamide
CID 17402957
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
(2S)-2-[(2-fluoro-5-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 61137775

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide (CID 43524403) is 2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide is CC(NC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccccn1.
What is the InChIKey of 2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is ZYWWVOGQJQPEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-9(13-4-2-3-7-16-13)17-14(19)11-8-10(18(20)21)5-6-12(11)15/h2-9H,1H3,(H,17,19).
What are the key properties of 2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide?
2-fluoro-5-nitro-N-(1-pyridin-2-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 2-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 43524403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).