1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea

C12H13F3N2O — CID 110490845

IUPAC1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea
SMILESCNC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C12H13F3N2O/c1-16-10(18)17-11(6-7-11)8-2-4-9(5-3-8)12(13,14)15/h2-5H,6-7H2,1H3,(H2,16,17,18)
InChIKeyACDIJIVUYQWKBX-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.62
Rot. Bonds2

About 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea

1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea (PubChem CID 110490845) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea
PubChem CID110490845
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea
SMILESCNC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C12H13F3N2O/c1-16-10(18)17-11(6-7-11)8-2-4-9(5-3-8)12(13,14)15/h2-5H,6-7H2,1H3,(H2,16,17,18)
InChIKeyACDIJIVUYQWKBX-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]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-[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]-3-methylurea;molecular hydrogen
CID 162075104
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]buta-2,3-dienamide
CID 176536815
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 164853883
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea
CID 155952090
N-[1-(4-methoxyphenyl)cyclopentyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52845959
1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215100
ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 145295636
N-[1-(4-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110444694
1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene
CID 69409357
(3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46215442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea?
The IUPAC name of 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea (CID 110490845) is 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea.
What is the SMILES notation for 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea?
The canonical SMILES for 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea is CNC(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea?
The InChIKey is ACDIJIVUYQWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-16-10(18)17-11(6-7-11)8-2-4-9(5-3-8)12(13,14)15/h2-5H,6-7H2,1H3,(H2,16,17,18).
What are the key properties of 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea?
1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea has a molecular weight of 258.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea is sourced from PubChem (CID 110490845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).