1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea

C14H12ClF3N2OS — CID 3733922

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2OS/c15-9-3-4-12(11(8-9)14(16,17)18)20-13(21)19-6-5-10-2-1-7-22-10/h1-4,7-8H,5-6H2,(H2,19,20,21)
InChIKeyXVURJKFZIJNTFD-UHFFFAOYSA-N
MW348.78 g/mol
LogP4.78
Rot. Bonds4

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 3733922) has the molecular formula C14H12ClF3N2OS and a molecular weight of 348.78 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID3733922
Molecular FormulaC14H12ClF3N2OS
Molecular Weight348.78 g/mol
Exact Mass348.03
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H12ClF3N2OS/c15-9-3-4-12(11(8-9)14(16,17)18)20-13(21)19-6-5-10-2-1-7-22-10/h1-4,7-8H,5-6H2,(H2,19,20,21)
InChIKeyXVURJKFZIJNTFD-UHFFFAOYSA-N
XLogP4.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-{3-[(3,5-Dichlorobenzyl)amino]propyl}-3-Thiophen-3-Ylurea
CID 60195274
1-(4-Chlorophenyl)-3-[5-(2,4-difluorophenyl)thiophen-2-yl]urea
CID 155436714
1-(4-Chlorophenyl)-3-(5-phenylthiophen-3-yl)urea
CID 155436719
1-(4-Chloro-2-methylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 800555
1-(4-Chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 3600113
N-(5-chloro-2-methylphenyl)-N'-thien-2-ylurea
CID 16195195
1-[3-[(3,5-Dichlorophenyl)methylamino]propyl]-3-thiophen-2-ylurea
CID 60195365
1-[(3-Chloro-4-fluorophenyl)methyl]-3-(5-nitrothiophen-3-yl)urea
CID 2739214
N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2739364
1-(3-Chlorophenyl)-3-[(3-chlorothiophen-2-yl)methyl]urea
CID 2808135
Cyto3G10
CID 2808196
1-(4-Chlorophenyl)-3-[2-(thiophen-2-yl)ethyl]urea
CID 6457397

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea (CID 3733922) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is XVURJKFZIJNTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2OS/c15-9-3-4-12(11(8-9)14(16,17)18)20-13(21)19-6-5-10-2-1-7-22-10/h1-4,7-8H,5-6H2,(H2,19,20,21).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea?
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 348.78 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 3733922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).