1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea

C10H8ClF3N2O — CID 108909133

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea
SMILESC=CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3N2O/c1-2-15-9(17)16-6-3-4-8(11)7(5-6)10(12,13)14/h2-5H,1H2,(H2,15,16,17)
InChIKeyOVDLEXVVNMLUDD-UHFFFAOYSA-N
MW264.63 g/mol
LogP3.62
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea (PubChem CID 108909133) has the molecular formula C10H8ClF3N2O and a molecular weight of 264.63 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea
PubChem CID108909133
Molecular FormulaC10H8ClF3N2O
Molecular Weight264.63 g/mol
Exact Mass264.03
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea
SMILESC=CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3N2O/c1-2-15-9(17)16-6-3-4-8(11)7(5-6)10(12,13)14/h2-5H,1H2,(H2,15,16,17)
InChIKeyOVDLEXVVNMLUDD-UHFFFAOYSA-N
XLogP3.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.63
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dihydroxyphenyl)urea
CID 108895420
(E)-4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 886533
1-(4-amino-2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 127573768
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N'-hydroxyhexanediamide
CID 166633079
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]thiourea
CID 4763346
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] trifluoromethanesulfonate
CID 19433252
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 110372029
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 16654156
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea (CID 108909133) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea is C=CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea?
The InChIKey is OVDLEXVVNMLUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O/c1-2-15-9(17)16-6-3-4-8(11)7(5-6)10(12,13)14/h2-5H,1H2,(H2,15,16,17).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea has a molecular weight of 264.63 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea is sourced from PubChem (CID 108909133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).