2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide

C9H9F2N3O3 — CID 113351033

IUPAC2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide
SMILESNC(=O)CONC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C9H9F2N3O3/c10-5-1-2-7(6(11)3-5)13-9(16)14-17-4-8(12)15/h1-3H,4H2,(H2,12,15)(H2,13,14,16)
InChIKeyUCBXGUAFBWIYJC-UHFFFAOYSA-N
MW245.18 g/mol
LogP0.50
Rot. Bonds4

About 2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide

2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide (PubChem CID 113351033) has the molecular formula C9H9F2N3O3 and a molecular weight of 245.18 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide
PubChem CID113351033
Molecular FormulaC9H9F2N3O3
Molecular Weight245.18 g/mol
Exact Mass245.06
IUPAC Name2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide
SMILESNC(=O)CONC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C9H9F2N3O3/c10-5-1-2-7(6(11)3-5)13-9(16)14-17-4-8(12)15/h1-3H,4H2,(H2,12,15)(H2,13,14,16)
InChIKeyUCBXGUAFBWIYJC-UHFFFAOYSA-N
XLogP0.50
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanamide
CID 107258525
1-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-(2,4-difluorophenyl)urea
CID 61118848
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(2,4-difluorophenyl)urea
CID 62668202
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid
CID 102854417
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878987
1-(1-carbamothioylcyclopentyl)-3-(2,4-difluorophenyl)urea
CID 61123214
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide?
The IUPAC name of 2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide (CID 113351033) is 2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide.
What is the SMILES notation for 2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide?
The canonical SMILES for 2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide is NC(=O)CONC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide?
The InChIKey is UCBXGUAFBWIYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O3/c10-5-1-2-7(6(11)3-5)13-9(16)14-17-4-8(12)15/h1-3H,4H2,(H2,12,15)(H2,13,14,16).
What are the key properties of 2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide?
2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide has a molecular weight of 245.18 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)carbamoylamino]oxyacetamide is sourced from PubChem (CID 113351033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).