[amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea

C11H13F3N4O2 — CID 57270178

IUPAC[amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea
SMILESCCN(C(N)=NC(N)=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N4O2/c1-2-18(9(15)17-10(16)19)7-3-5-8(6-4-7)20-11(12,13)14/h3-6H,2H2,1H3,(H4,15,16,17,19)
InChIKeyFLXIXXMMGRGYPI-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.80
Rot. Bonds3

About [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea

[amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea (PubChem CID 57270178) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea.

Molecular Properties

Compound Name[amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea
PubChem CID57270178
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name[amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea
SMILESCCN(C(N)=NC(N)=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N4O2/c1-2-18(9(15)17-10(16)19)7-3-5-8(6-4-7)20-11(12,13)14/h3-6H,2H2,1H3,(H4,15,16,17,19)
InChIKeyFLXIXXMMGRGYPI-UHFFFAOYSA-N
XLogP1.80
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]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

N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 123473878
N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 167242614
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
4-[[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]methyl]-N,N-diethylbenzamide
CID 111048294
N-(cyanomethyl)-N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 11208214
2-[N-(2-chloroacetyl)-4-(trifluoromethoxy)anilino]acetic acid
CID 142764850
2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]-N-propylacetamide
CID 111032162
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366798
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
butyl 4-(trifluoromethoxy)benzoate
CID 113220950
N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
CID 145273685
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 55314147

Frequently Asked Questions

What is the IUPAC name of [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea?
The IUPAC name of [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea (CID 57270178) is [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea.
What is the SMILES notation for [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea?
The canonical SMILES for [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea is CCN(C(N)=NC(N)=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea?
The InChIKey is FLXIXXMMGRGYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-2-18(9(15)17-10(16)19)7-3-5-8(6-4-7)20-11(12,13)14/h3-6H,2H2,1H3,(H4,15,16,17,19).
What are the key properties of [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea?
[amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea has a molecular weight of 290.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea is sourced from PubChem (CID 57270178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).