2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide

C12H14FN3O4 — CID 63920907

IUPAC2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide
SMILESNC(=O)C(N)(COc1ccc([N+](=O)[O-])cc1F)C1CC1
InChIInChI=1S/C12H14FN3O4/c13-9-5-8(16(18)19)3-4-10(9)20-6-12(15,11(14)17)7-1-2-7/h3-5,7H,1-2,6,15H2,(H2,14,17)
InChIKeyZBQOWANNBMISKH-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.71
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide

2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide (PubChem CID 63920907) has the molecular formula C12H14FN3O4 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide
PubChem CID63920907
Molecular FormulaC12H14FN3O4
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide
SMILESNC(=O)C(N)(COc1ccc([N+](=O)[O-])cc1F)C1CC1
InChIInChI=1S/C12H14FN3O4/c13-9-5-8(16(18)19)3-4-10(9)20-6-12(15,11(14)17)7-1-2-7/h3-5,7H,1-2,6,15H2,(H2,14,17)
InChIKeyZBQOWANNBMISKH-UHFFFAOYSA-N
XLogP0.71
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 50.71
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

1-cyclopropyl-2-(2-fluoro-4-nitrophenoxy)ethanone
CID 63903842
1-(cyclopropylamino)-3-(2-fluoro-4-nitrophenoxy)-2-methylpropan-2-ol
CID 66336708
ethyl 2-(2-fluoro-4-nitrophenoxy)acetate
CID 43259205
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
N-[2-[(2-fluoro-4-nitrophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066948
2-amino-2-cyclopropyl-3-(2-fluoro-6-nitrophenoxy)propanoic acid
CID 104832381
2-amino-2-cyclopropyl-3-(2-ethoxyphenoxy)propanamide
CID 63919391
methyl 2-amino-2-cyclopropyl-3-(2-methoxy-5-nitrophenyl)propanoate
CID 70239627
trans-bis(2-fluoro-4-nitrophenyl) (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 156761766
3-(2-fluoro-4-nitrophenoxy)propanal
CID 63039286
1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one
CID 61038327
ethyl 4-[2-(2-fluoro-4-nitrophenoxy)acetyl]piperazine-1-carboxylate
CID 46484700

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide (CID 63920907) is 2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide is NC(=O)C(N)(COc1ccc([N+](=O)[O-])cc1F)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide?
The InChIKey is ZBQOWANNBMISKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O4/c13-9-5-8(16(18)19)3-4-10(9)20-6-12(15,11(14)17)7-1-2-7/h3-5,7H,1-2,6,15H2,(H2,14,17).
What are the key properties of 2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide?
2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide has a molecular weight of 283.26 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2-fluoro-4-nitrophenoxy)propanamide is sourced from PubChem (CID 63920907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).