1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea

C10H10ClF3N2O — CID 116699308

IUPAC1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF3N2O/c1-2-15-9(17)16-8-4-6(10(12,13)14)3-7(11)5-8/h3-5H,2H2,1H3,(H2,15,16,17)
InChIKeyDGLKGSYLAICOFK-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.50
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea

1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea (PubChem CID 116699308) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
PubChem CID116699308
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF3N2O/c1-2-15-9(17)16-8-4-6(10(12,13)14)3-7(11)5-8/h3-5H,2H2,1H3,(H2,15,16,17)
InChIKeyDGLKGSYLAICOFK-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea 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-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 116699866
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
(2S)-2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]pentanamide
CID 107570754
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 116699316
N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyano-2-methylbutanamide
CID 116699929
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
5-[3-chloro-5-(trifluoromethyl)anilino]-5-oxopentanoic acid
CID 116698761
N-[3-chloro-5-(trifluoromethyl)phenyl]-3-methyl-2-sulfanylbutanamide
CID 107036182
6-[3-chloro-5-(trifluoromethyl)anilino]-6-oxohexanoic acid
CID 116698763
tris[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]ethyl]-methylphosphanium
CID 171057100
tris[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]ethyl]-methylazanium
CID 171057113

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea (CID 116699308) is 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea is CCNC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea?
The InChIKey is DGLKGSYLAICOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c1-2-15-9(17)16-8-4-6(10(12,13)14)3-7(11)5-8/h3-5H,2H2,1H3,(H2,15,16,17).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea?
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea has a molecular weight of 266.65 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylurea is sourced from PubChem (CID 116699308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).