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

C16H15F3N2O2 — CID 49467023

IUPAC1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1cccc(OC(F)F)c1)NCc1ccccc1F
InChIInChI=1S/C16H15F3N2O2/c17-14-7-2-1-5-12(14)10-21-16(22)20-9-11-4-3-6-13(8-11)23-15(18)19/h1-8,15H,9-10H2,(H2,20,21,22)
InChIKeyYVMNLTVNSSSJIZ-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.43
Rot. Bonds6

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

1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea (PubChem CID 49467023) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
PubChem CID49467023
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1cccc(OC(F)F)c1)NCc1ccccc1F
InChIInChI=1S/C16H15F3N2O2/c17-14-7-2-1-5-12(14)10-21-16(22)20-9-11-4-3-6-13(8-11)23-15(18)19/h1-8,15H,9-10H2,(H2,20,21,22)
InChIKeyYVMNLTVNSSSJIZ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-[[3-(difluoromethoxy)phenyl]methyl]-3-(furan-3-ylmethyl)urea
CID 49479533
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618724
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
1-(1-bicyclo[1.1.1]pentanyl)-3-[[3-(difluoromethoxy)phenyl]methyl]urea
CID 169150536
1-amino-N-[[3-(difluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 83316158
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
2-benzylsulfanyl-N-[[3-(difluoromethoxy)phenyl]methyl]propanamide
CID 49336481
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(3-nitrophenyl)methyl]urea
CID 86855239

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea (CID 49467023) is 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea is O=C(NCc1cccc(OC(F)F)c1)NCc1ccccc1F.
What is the InChIKey of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is YVMNLTVNSSSJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-14-7-2-1-5-12(14)10-21-16(22)20-9-11-4-3-6-13(8-11)23-15(18)19/h1-8,15H,9-10H2,(H2,20,21,22).
What are the key properties of 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea?
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 324.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 49467023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).