2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide

C12H13F2N3O4 — CID 63599204

IUPAC2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide
SMILESNC(=O)C(COc1cc(F)c([N+](=O)[O-])cc1F)NC1CC1
InChIInChI=1S/C12H13F2N3O4/c13-7-4-11(8(14)3-10(7)17(19)20)21-5-9(12(15)18)16-6-1-2-6/h3-4,6,9,16H,1-2,5H2,(H2,15,18)
InChIKeyZXEYQCSJLXVAOJ-UHFFFAOYSA-N
MW301.25 g/mol
LogP0.86
Rot. Bonds7

About 2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide

2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide (PubChem CID 63599204) has the molecular formula C12H13F2N3O4 and a molecular weight of 301.25 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide
PubChem CID63599204
Molecular FormulaC12H13F2N3O4
Molecular Weight301.25 g/mol
Exact Mass301.09
IUPAC Name2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide
SMILESNC(=O)C(COc1cc(F)c([N+](=O)[O-])cc1F)NC1CC1
InChIInChI=1S/C12H13F2N3O4/c13-7-4-11(8(14)3-10(7)17(19)20)21-5-9(12(15)18)16-6-1-2-6/h3-4,6,9,16H,1-2,5H2,(H2,15,18)
InChIKeyZXEYQCSJLXVAOJ-UHFFFAOYSA-N
XLogP0.86
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 50.86
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

3-(4-bromo-5-fluoro-2-nitrophenoxy)-2-(cyclopropylamino)propanoic acid
CID 103484038
2-(cyclopropylamino)-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103202199
2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide
CID 62109287
2-(cyclopropylamino)-4-(2-fluoro-6-nitrophenoxy)butanamide
CID 104832338
ethyl 2-amino-3-(2,5-difluoro-4-nitrophenoxy)propanoate
CID 63598668
2-(2,5-difluoro-4-nitrophenoxy)acetic acid
CID 63600039
2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide
CID 114280424
methyl 4-(2,5-difluoro-4-nitrophenoxy)-2-(methylamino)butanoate
CID 63599736
2-[(2,5-difluoro-4-nitrophenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103371050
2-(cyclopropylamino)-3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102703444
methyl 3-(2-bromo-5-nitrophenoxy)-2-(cyclopropylamino)propanoate
CID 103012255
3-(2,5-difluoro-4-nitrophenoxy)propan-1-ol
CID 63597608

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide?
The IUPAC name of 2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide (CID 63599204) is 2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide?
The canonical SMILES for 2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide is NC(=O)C(COc1cc(F)c([N+](=O)[O-])cc1F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide?
The InChIKey is ZXEYQCSJLXVAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O4/c13-7-4-11(8(14)3-10(7)17(19)20)21-5-9(12(15)18)16-6-1-2-6/h3-4,6,9,16H,1-2,5H2,(H2,15,18).
What are the key properties of 2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide?
2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide has a molecular weight of 301.25 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide is sourced from PubChem (CID 63599204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).