3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea

C11H12ClF3N2O — CID 113229852

IUPAC3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O/c1-3-17(2)10(18)16-9-5-4-7(12)6-8(9)11(13,14)15/h4-6H,3H2,1-2H3,(H,16,18)
InChIKeyZHUXAMMOQANCSI-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.84
Rot. Bonds2

About 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea

3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea (PubChem CID 113229852) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
PubChem CID113229852
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O/c1-3-17(2)10(18)16-9-5-4-7(12)6-8(9)11(13,14)15/h4-6H,3H2,1-2H3,(H,16,18)
InChIKeyZHUXAMMOQANCSI-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylurea
CID 108988898
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-1-phenylurea
CID 108991173
2-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 62637544
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
CID 79152051
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-ethyl-N'-phenyloxamide
CID 108518687
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 79796494
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
CID 109033185
1-[(4-butylphenyl)methyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]-1-heptylurea
CID 154173929
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055915
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea (CID 113229852) is 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea is CCN(C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea?
The InChIKey is ZHUXAMMOQANCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-3-17(2)10(18)16-9-5-4-7(12)6-8(9)11(13,14)15/h4-6H,3H2,1-2H3,(H,16,18).
What are the key properties of 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea?
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea has a molecular weight of 280.68 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea is sourced from PubChem (CID 113229852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).