1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea

C14H12F6N2O — CID 108915907

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea
SMILESO=C(N/C=C/C1CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F6N2O/c15-13(16,17)9-5-10(14(18,19)20)7-11(6-9)22-12(23)21-4-3-8-1-2-8/h3-8H,1-2H2,(H2,21,22,23)/b4-3+
InChIKeyRVLOTBUVTSSWKW-ONEGZZNKSA-N
MW338.25 g/mol
LogP4.77
Rot. Bonds3

About 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea (PubChem CID 108915907) has the molecular formula C14H12F6N2O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea
PubChem CID108915907
Molecular FormulaC14H12F6N2O
Molecular Weight338.25 g/mol
Exact Mass338.09
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea
SMILESO=C(N/C=C/C1CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H12F6N2O/c15-13(16,17)9-5-10(14(18,19)20)7-11(6-9)22-12(23)21-4-3-8-1-2-8/h3-8H,1-2H2,(H2,21,22,23)/b4-3+
InChIKeyRVLOTBUVTSSWKW-ONEGZZNKSA-N
XLogP4.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
CID 108915680
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
CID 108912245
1-(4-aminophenyl)-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 108897036
1-[3-chloro-5-(trifluoromethyl)phenyl]-3-cyclobutylurea
CID 116699316
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
N-[3,5-bis(trifluoromethyl)phenyl]-2,4-dioxobicyclo[3.2.1]octane-3-carboxamide
CID 11603558
1-[3,5-bis(trifluoromethyl)phenyl]-3-pentan-3-ylurea
CID 108888360
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603263
N-[3,5-bis(trifluoromethyl)phenyl]-1,4-dithiane-2-carboxamide
CID 86975714
N-[(1R,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]-3,5-dimethylbenzamide
CID 101341361
1-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122073677
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
CID 29204823

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea (CID 108915907) is 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea is O=C(N/C=C/C1CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea?
The InChIKey is RVLOTBUVTSSWKW-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H12F6N2O/c15-13(16,17)9-5-10(14(18,19)20)7-11(6-9)22-12(23)21-4-3-8-1-2-8/h3-8H,1-2H2,(H2,21,22,23)/b4-3+.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea?
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea has a molecular weight of 338.25 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(E)-2-cyclopropylethenyl]urea is sourced from PubChem (CID 108915907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).