[2-(trifluoromethyl)anilino]urea

C8H8F3N3O — CID 141255172

IUPAC[2-(trifluoromethyl)anilino]urea
SMILESNC(=O)NNc1ccccc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)5-3-1-2-4-6(5)13-14-7(12)15/h1-4,13H,(H3,12,14,15)
InChIKeyMRTPKWQJSHOPOZ-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.70
Rot. Bonds2

About [2-(trifluoromethyl)anilino]urea

[2-(trifluoromethyl)anilino]urea (PubChem CID 141255172) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is [2-(trifluoromethyl)anilino]urea.

Molecular Properties

Compound Name[2-(trifluoromethyl)anilino]urea
PubChem CID141255172
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name[2-(trifluoromethyl)anilino]urea
SMILESNC(=O)NNc1ccccc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)5-3-1-2-4-6(5)13-14-7(12)15/h1-4,13H,(H3,12,14,15)
InChIKeyMRTPKWQJSHOPOZ-UHFFFAOYSA-N
XLogP1.70
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(trifluoromethyl)anilino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(trifluoromethyl)anilino]thiourea
CID 54297907
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 2811204
4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55343394
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-methyl-2-[2-(trifluoromethyl)anilino]propanamide
CID 62312755
(2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
CID 96517757
1-carbamothioyl-3-[2-(trifluoromethyl)phenyl]urea
CID 134125791
1-chloro-2-[2-(trifluoromethyl)phenyl]hydrazine
CID 175316529
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide
CID 25469578
3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide
CID 71889641
1-ethyl-3-[2-(trifluoromethyl)anilino]thiourea
CID 18289668

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)anilino]urea?
The IUPAC name of [2-(trifluoromethyl)anilino]urea (CID 141255172) is [2-(trifluoromethyl)anilino]urea.
What is the SMILES notation for [2-(trifluoromethyl)anilino]urea?
The canonical SMILES for [2-(trifluoromethyl)anilino]urea is NC(=O)NNc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)anilino]urea?
The InChIKey is MRTPKWQJSHOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)5-3-1-2-4-6(5)13-14-7(12)15/h1-4,13H,(H3,12,14,15).
What are the key properties of [2-(trifluoromethyl)anilino]urea?
[2-(trifluoromethyl)anilino]urea has a molecular weight of 219.17 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)anilino]urea is sourced from PubChem (CID 141255172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).