1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea

C9H9F2N5O — CID 61343254

IUPAC1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea
SMILES[N-]=[N+]=NCCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C9H9F2N5O/c10-6-1-2-8(7(11)5-6)15-9(17)13-3-4-14-16-12/h1-2,5H,3-4H2,(H2,13,15,17)
InChIKeyJBEBNHGBRHEWAA-UHFFFAOYSA-N
MW241.20 g/mol
LogP2.40
Rot. Bonds4

About 1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea

1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea (PubChem CID 61343254) has the molecular formula C9H9F2N5O and a molecular weight of 241.20 g/mol. Its IUPAC name is 1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea
PubChem CID61343254
Molecular FormulaC9H9F2N5O
Molecular Weight241.20 g/mol
Exact Mass241.08
IUPAC Name1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea
SMILES[N-]=[N+]=NCCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C9H9F2N5O/c10-6-1-2-8(7(11)5-6)15-9(17)13-3-4-14-16-12/h1-2,5H,3-4H2,(H2,13,15,17)
InChIKeyJBEBNHGBRHEWAA-UHFFFAOYSA-N
XLogP2.40
TPSA89.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyanoethyl)-3-(2,4-difluorophenyl)urea
CID 60676650
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
1-(3-cyanopropyl)-3-(2,4-difluorophenyl)urea
CID 62667576
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511
1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea
CID 112971370
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanamide
CID 107258525
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450080

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea (CID 61343254) is 1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea is [N-]=[N+]=NCCNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is JBEBNHGBRHEWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5O/c10-6-1-2-8(7(11)5-6)15-9(17)13-3-4-14-16-12/h1-2,5H,3-4H2,(H2,13,15,17).
What are the key properties of 1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea?
1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 241.20 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 61343254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).