1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea

C11H13F3N4O2 — CID 67816843

IUPAC1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNNC(=O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)7-1-3-8(4-2-7)17-10(20)16-6-5-9(19)18-15/h1-4H,5-6,15H2,(H,18,19)(H2,16,17,20)
InChIKeyQGSRXNNTRHIMEX-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.21
Rot. Bonds4

About 1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 67816843) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID67816843
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNNC(=O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)7-1-3-8(4-2-7)17-10(20)16-6-5-9(19)18-15/h1-4H,5-6,15H2,(H,18,19)(H2,16,17,20)
InChIKeyQGSRXNNTRHIMEX-UHFFFAOYSA-N
XLogP1.21
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-amino-3-hydroxyiminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 76953073
1-(4-aminobutyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 55102555
1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60799942
1-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95980208
1-[3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896244
1-[3-(2-aminoethoxy)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 106308105
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
1-(2-aminopropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63732530
1-(4-cyanobutyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63297615
1-(cyanomethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61314990
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
CID 28510898
1-(2,2,2-trifluoroethoxy)-3-[4-(trifluoromethyl)phenyl]urea
CID 115712424

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 67816843) is 1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea is NNC(=O)CCNC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is QGSRXNNTRHIMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)7-1-3-8(4-2-7)17-10(20)16-6-5-9(19)18-15/h1-4H,5-6,15H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 290.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydrazinyl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 67816843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).