4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide

C11H14FN3O4 — CID 103155684

IUPAC4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H14FN3O4/c1-19-8(6-13)5-11(16)14-10-3-2-7(15(17)18)4-9(10)12/h2-4,8H,5-6,13H2,1H3,(H,14,16)
InChIKeyDMASNXMPYFBYTA-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.04
Rot. Bonds6

About 4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide

4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide (PubChem CID 103155684) has the molecular formula C11H14FN3O4 and a molecular weight of 271.25 g/mol. Its IUPAC name is 4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide
PubChem CID103155684
Molecular FormulaC11H14FN3O4
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H14FN3O4/c1-19-8(6-13)5-11(16)14-10-3-2-7(15(17)18)4-9(10)12/h2-4,8H,5-6,13H2,1H3,(H,14,16)
InChIKeyDMASNXMPYFBYTA-UHFFFAOYSA-N
XLogP1.04
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586484
4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide
CID 107334980
N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605418
(2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide
CID 79023514
N-(2,3-dimethoxypropyl)-2-fluoro-4-nitroaniline
CID 113368856
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
3-(2-fluoro-4-nitroanilino)-2-methoxypropanoic acid
CID 106108612
4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
CID 114227336
3-(aminomethyl)-N-(2-hydroxy-4-nitrophenyl)-5-methylhexanamide
CID 107744282
4-amino-N-(2-cyano-4-nitrophenyl)-3-methylbutanamide
CID 81075952
1-(2-fluoro-4-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655173
4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide (CID 103155684) is 4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide is COC(CN)CC(=O)Nc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide?
The InChIKey is DMASNXMPYFBYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4/c1-19-8(6-13)5-11(16)14-10-3-2-7(15(17)18)4-9(10)12/h2-4,8H,5-6,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide?
4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide has a molecular weight of 271.25 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluoro-4-nitrophenyl)-3-methoxybutanamide is sourced from PubChem (CID 103155684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).