[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea

C9H9F3N4O3 — CID 166747520

IUPAC[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
SMILESNNC(=O)c1ccc(OC(F)(F)F)cc1NC(N)=O
InChIInChI=1S/C9H9F3N4O3/c10-9(11,12)19-4-1-2-5(7(17)16-14)6(3-4)15-8(13)18/h1-3H,14H2,(H,16,17)(H3,13,15,18)
InChIKeyXWVGPFLUWNVYAY-UHFFFAOYSA-N
MW278.19 g/mol
LogP0.68
Rot. Bonds3

About [2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea

[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea (PubChem CID 166747520) has the molecular formula C9H9F3N4O3 and a molecular weight of 278.19 g/mol. Its IUPAC name is [2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
PubChem CID166747520
Molecular FormulaC9H9F3N4O3
Molecular Weight278.19 g/mol
Exact Mass278.06
IUPAC Name[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
SMILESNNC(=O)c1ccc(OC(F)(F)F)cc1NC(N)=O
InChIInChI=1S/C9H9F3N4O3/c10-9(11,12)19-4-1-2-5(7(17)16-14)6(3-4)15-8(13)18/h1-3H,14H2,(H,16,17)(H3,13,15,18)
InChIKeyXWVGPFLUWNVYAY-UHFFFAOYSA-N
XLogP0.68
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichlorophenyl)-3-[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea
CID 166747484
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-[(3,5-dibromophenyl)carbamoylamino]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 156854258
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-[(3-fluorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide
CID 156854184
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid
CID 68866362
[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
2-benzamido-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 67342853
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859

Frequently Asked Questions

What is the IUPAC name of [2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea?
The IUPAC name of [2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea (CID 166747520) is [2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for [2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for [2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea is NNC(=O)c1ccc(OC(F)(F)F)cc1NC(N)=O.
What is the InChIKey of [2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea?
The InChIKey is XWVGPFLUWNVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O3/c10-9(11,12)19-4-1-2-5(7(17)16-14)6(3-4)15-8(13)18/h1-3H,14H2,(H,16,17)(H3,13,15,18).
What are the key properties of [2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea?
[2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea has a molecular weight of 278.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydrazinecarbonyl)-5-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 166747520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).