1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea

C18H17F3N2O3 — CID 90105726

IUPAC1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea
SMILESCC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C18H17F3N2O3/c1-11(2)26-16-7-6-13(18(19,20)21)9-15(16)23-17(25)22-14-5-3-4-12(8-14)10-24/h3-11H,1-2H3,(H2,22,23,25)
InChIKeyWQQPAYIJYYFJEE-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.95
Rot. Bonds5

About 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea

1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea (PubChem CID 90105726) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea
PubChem CID90105726
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea
SMILESCC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C18H17F3N2O3/c1-11(2)26-16-7-6-13(18(19,20)21)9-15(16)23-17(25)22-14-5-3-4-12(8-14)10-24/h3-11H,1-2H3,(H2,22,23,25)
InChIKeyWQQPAYIJYYFJEE-UHFFFAOYSA-N
XLogP4.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]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-(3-formylphenyl)-3-[2-[3-(methylamino)propoxy]-5-(trifluoromethyl)phenyl]urea
CID 90105992
1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 87362484
1-(3-formylphenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 90104893
3-nitro-N-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 2985479
2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 157049199
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4583303
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10110546
(2S)-2-(4-bromo-2-formylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 41014399
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280

Frequently Asked Questions

What is the IUPAC name of 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea (CID 90105726) is 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea is CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(C=O)c1.
What is the InChIKey of 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea?
The InChIKey is WQQPAYIJYYFJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11(2)26-16-7-6-13(18(19,20)21)9-15(16)23-17(25)22-14-5-3-4-12(8-14)10-24/h3-11H,1-2H3,(H2,22,23,25).
What are the key properties of 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea?
1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea has a molecular weight of 366.34 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-formylphenyl)-3-[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90105726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).