1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea

C10H11ClF3N3O — CID 107465978

IUPAC1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C(=O)NCC(F)(F)F)c1cc(Cl)ccc1N
InChIInChI=1S/C10H11ClF3N3O/c1-17(9(18)16-5-10(12,13)14)8-4-6(11)2-3-7(8)15/h2-4H,5,15H2,1H3,(H,16,18)
InChIKeyGKWXCHOVJCTFAQ-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.63
Rot. Bonds2

About 1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea

1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 107465978) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID107465978
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C(=O)NCC(F)(F)F)c1cc(Cl)ccc1N
InChIInChI=1S/C10H11ClF3N3O/c1-17(9(18)16-5-10(12,13)14)8-4-6(11)2-3-7(8)15/h2-4H,5,15H2,1H3,(H,16,18)
InChIKeyGKWXCHOVJCTFAQ-UHFFFAOYSA-N
XLogP2.63
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
1-(2-amino-5-chlorophenyl)-3-(2-fluorophenyl)-1-methylurea
CID 107465953
1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
CID 107465973
2-amino-4-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61110031
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 107465510
2-[[(2,5-dichlorophenyl)-methylcarbamoyl]-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 166229992
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea (CID 107465978) is 1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea is CN(C(=O)NCC(F)(F)F)c1cc(Cl)ccc1N.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GKWXCHOVJCTFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-17(9(18)16-5-10(12,13)14)8-4-6(11)2-3-7(8)15/h2-4H,5,15H2,1H3,(H,16,18).
What are the key properties of 1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 281.67 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 107465978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).