1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea

C14H15F3N2O2 — CID 138010552

IUPAC1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)NC1C=CCC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)21-12-7-3-4-10(8-12)9-18-13(20)19-11-5-1-2-6-11/h1,3-5,7-8,11H,2,6,9H2,(H2,18,19,20)
InChIKeyLASDNNWTHMJUDD-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.10
Rot. Bonds4

About 1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea

1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 138010552) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID138010552
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)NC1C=CCC1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)21-12-7-3-4-10(8-12)9-18-13(20)19-11-5-1-2-6-11/h1,3-5,7-8,11H,2,6,9H2,(H2,18,19,20)
InChIKeyLASDNNWTHMJUDD-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 74236468
1-(3-methyl-1-bicyclo[1.1.1]pentanyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150569
1-(3-fluorobut-3-enyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150586
1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3818160
cis-(1S,2R)-2-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 51412984
1-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)but-3-enyl]urea
CID 169150598
1-(3-chloro-4-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3865446
2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid
CID 107105253
1-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 64503594
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104561
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106127419

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea (CID 138010552) is 1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea is O=C(NCc1cccc(OC(F)(F)F)c1)NC1C=CCC1.
What is the InChIKey of 1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is LASDNNWTHMJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)21-12-7-3-4-10(8-12)9-18-13(20)19-11-5-1-2-6-11/h1,3-5,7-8,11H,2,6,9H2,(H2,18,19,20).
What are the key properties of 1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 300.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 138010552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).