1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea

C16H15F3N2O2 — CID 11573369

IUPAC1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(F)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F3N2O2/c17-12-3-1-2-11(10-12)8-9-20-16(22)21-13-4-6-14(7-5-13)23-15(18)19/h1-7,10,15H,8-9H2,(H2,20,21,22)
InChIKeyZHQOTEDAYABIIG-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.79
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea

1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea (PubChem CID 11573369) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
PubChem CID11573369
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1cccc(F)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F3N2O2/c17-12-3-1-2-11(10-12)8-9-20-16(22)21-13-4-6-14(7-5-13)23-15(18)19/h1-7,10,15H,8-9H2,(H2,20,21,22)
InChIKeyZHQOTEDAYABIIG-UHFFFAOYSA-N
XLogP3.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]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-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea
CID 59649481
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
4-[2-(3-fluorophenyl)ethylcarbamothioylamino]benzamide
CID 18416397
1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
1-(1,3-benzodioxol-5-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290583
1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 11624959
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 71865565

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea (CID 11573369) is 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea is O=C(NCCc1cccc(F)c1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
The InChIKey is ZHQOTEDAYABIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-12-3-1-2-11(10-12)8-9-20-16(22)21-13-4-6-14(7-5-13)23-15(18)19/h1-7,10,15H,8-9H2,(H2,20,21,22).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea?
1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea has a molecular weight of 324.30 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea is sourced from PubChem (CID 11573369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).