5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide

C11H14FN3O3 — CID 81310195

IUPAC5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide
SMILESNCCCCC(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c12-8-4-3-5-9(15(17)18)11(8)14-10(16)6-1-2-7-13/h3-5H,1-2,6-7,13H2,(H,14,16)
InChIKeyVGFGPOYONUTWNB-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.80
Rot. Bonds6

About 5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide

5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide (PubChem CID 81310195) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide
PubChem CID81310195
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide
SMILESNCCCCC(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c12-8-4-3-5-9(15(17)18)11(8)14-10(16)6-1-2-7-13/h3-5H,1-2,6-7,13H2,(H,14,16)
InChIKeyVGFGPOYONUTWNB-UHFFFAOYSA-N
XLogP1.80
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide
CID 81310912
4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310551
3-(tert-butylamino)-N-(2-fluoro-6-nitrophenyl)propanamide
CID 81311088
5-amino-N-(2-bromo-6-fluorophenyl)pentanamide
CID 107599895
methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
2-[2-(2-fluoro-6-nitroanilino)-2-oxoethoxy]acetic acid
CID 81309953
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309744
4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide
CID 81310021
2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide
CID 81307584
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
CID 119264091
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
CID 106113239

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide?
The IUPAC name of 5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide (CID 81310195) is 5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide.
What is the SMILES notation for 5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide?
The canonical SMILES for 5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide is NCCCCC(=O)Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide?
The InChIKey is VGFGPOYONUTWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c12-8-4-3-5-9(15(17)18)11(8)14-10(16)6-1-2-7-13/h3-5H,1-2,6-7,13H2,(H,14,16).
What are the key properties of 5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide?
5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide has a molecular weight of 255.25 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide is sourced from PubChem (CID 81310195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).