2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide

C9H9ClFN3O4 — CID 114280424

IUPAC2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide
SMILESNC(=O)C(N)COc1cc(F)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H9ClFN3O4/c10-4-1-7(14(16)17)5(11)2-8(4)18-3-6(12)9(13)15/h1-2,6H,3,12H2,(H2,13,15)
InChIKeyIOERHPLYACANLP-UHFFFAOYSA-N
MW277.64 g/mol
LogP0.58
Rot. Bonds5

About 2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide

2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide (PubChem CID 114280424) has the molecular formula C9H9ClFN3O4 and a molecular weight of 277.64 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide
PubChem CID114280424
Molecular FormulaC9H9ClFN3O4
Molecular Weight277.64 g/mol
Exact Mass277.03
IUPAC Name2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide
SMILESNC(=O)C(N)COc1cc(F)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H9ClFN3O4/c10-4-1-7(14(16)17)5(11)2-8(4)18-3-6(12)9(13)15/h1-2,6H,3,12H2,(H2,13,15)
InChIKeyIOERHPLYACANLP-UHFFFAOYSA-N
XLogP0.58
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.64
LogP ≤ 50.58
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

ethyl 2-amino-3-(2,5-difluoro-4-nitrophenoxy)propanoate
CID 63598668
1-chloro-2-(cyclopropylmethoxy)-4-fluoro-5-nitrobenzene
CID 170769064
4-chloro-5-(2,2-difluoroethoxy)-2-nitroaniline
CID 147350893
3-[(2-chloro-5-fluoro-4-nitrophenoxy)methyl]oxetane
CID 166538283
2-(cyclopropylamino)-3-(2,5-difluoro-4-nitrophenoxy)propanamide
CID 63599204
2-amino-3-(4-methoxy-3-nitrophenoxy)propanamide
CID 103201521
dimethyl 2-(2-chloro-5-fluoro-4-nitrophenyl)propanedioate
CID 15390180
1-chloro-2-[(E)-3-chloroprop-2-enoxy]-5-fluoro-4-nitrobenzene
CID 139226434
4-(2-chloro-5-fluoro-4-nitrophenyl)but-3-enamide
CID 170798570
2-[(2,5-difluoro-4-nitrophenoxy)methyl]-3,3,3-trifluoropropanimidamide
CID 103371050
2-(2,5-difluoro-4-nitrophenoxy)acetic acid
CID 63600039
ethyl 2-amino-3-(2-chloro-5-nitrophenoxy)propanoate
CID 63992197

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide?
The IUPAC name of 2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide (CID 114280424) is 2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide.
What is the SMILES notation for 2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide?
The canonical SMILES for 2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide is NC(=O)C(N)COc1cc(F)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide?
The InChIKey is IOERHPLYACANLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O4/c10-4-1-7(14(16)17)5(11)2-8(4)18-3-6(12)9(13)15/h1-2,6H,3,12H2,(H2,13,15).
What are the key properties of 2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide?
2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide has a molecular weight of 277.64 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloro-5-fluoro-4-nitrophenoxy)propanamide is sourced from PubChem (CID 114280424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).