[2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea

C10H10F3N3O — CID 131851267

IUPAC[2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea
SMILESNC(=O)NN=CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)8-3-1-2-7(6-8)4-5-15-16-9(14)17/h1-3,5-6H,4H2,(H3,14,16,17)
InChIKeyATWJEZZGWYJZHJ-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.90
Rot. Bonds3

About [2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea

[2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea (PubChem CID 131851267) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is [2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea.

Molecular Properties

Compound Name[2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea
PubChem CID131851267
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name[2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea
SMILESNC(=O)NN=CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)8-3-1-2-7(6-8)4-5-15-16-9(14)17/h1-3,5-6H,4H2,(H3,14,16,17)
InChIKeyATWJEZZGWYJZHJ-UHFFFAOYSA-N
XLogP1.90
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[2-[3-(trifluoromethyl)phenyl]phenyl]methylideneamino]urea
CID 168532329
2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde
CID 143453509
[[5-bromo-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]urea
CID 168533054
[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]urea
CID 168534106
2-bromo-3-[3-(trifluoromethyl)phenyl]propanamide
CID 104513003
3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 67931210
N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 46512922
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
N'-amino-2-[3-(trifluoromethyl)phenyl]ethanimidamide
CID 77077245
(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride
CID 66983008
N-[(Z)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 6269141
4-[(Z)-1-(methylideneamino)oxy-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]benzoic acid
CID 170268732

Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea?
The IUPAC name of [2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea (CID 131851267) is [2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea.
What is the SMILES notation for [2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea?
The canonical SMILES for [2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea is NC(=O)NN=CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea?
The InChIKey is ATWJEZZGWYJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)8-3-1-2-7(6-8)4-5-15-16-9(14)17/h1-3,5-6H,4H2,(H3,14,16,17).
What are the key properties of [2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea?
[2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea has a molecular weight of 245.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea is sourced from PubChem (CID 131851267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).