1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea

C17H17BrF2N2O2 — CID 55696855

IUPAC1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea
SMILESCCC(NC(=O)Nc1ccccc1Br)c1ccccc1OC(F)F
InChIInChI=1S/C17H17BrF2N2O2/c1-2-13(11-7-3-6-10-15(11)24-16(19)20)21-17(23)22-14-9-5-4-8-12(14)18/h3-10,13,16H,2H2,1H3,(H2,21,22,23)
InChIKeyFDANENQCKIUAGJ-UHFFFAOYSA-N
MW399.24 g/mol
LogP5.32
Rot. Bonds6

About 1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea

1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea (PubChem CID 55696855) has the molecular formula C17H17BrF2N2O2 and a molecular weight of 399.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea
PubChem CID55696855
Molecular FormulaC17H17BrF2N2O2
Molecular Weight399.24 g/mol
Exact Mass398.04
IUPAC Name1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea
SMILESCCC(NC(=O)Nc1ccccc1Br)c1ccccc1OC(F)F
InChIInChI=1S/C17H17BrF2N2O2/c1-2-13(11-7-3-6-10-15(11)24-16(19)20)21-17(23)22-14-9-5-4-8-12(14)18/h3-10,13,16H,2H2,1H3,(H2,21,22,23)
InChIKeyFDANENQCKIUAGJ-UHFFFAOYSA-N
XLogP5.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.24
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoylamino]phenyl]acetamide
CID 56557227
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
3-acetamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]benzamide
CID 42959688
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide
CID 55656426
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895833
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60511438
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
1-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98792983
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38979661

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea (CID 55696855) is 1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea is CCC(NC(=O)Nc1ccccc1Br)c1ccccc1OC(F)F.
What is the InChIKey of 1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea?
The InChIKey is FDANENQCKIUAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N2O2/c1-2-13(11-7-3-6-10-15(11)24-16(19)20)21-17(23)22-14-9-5-4-8-12(14)18/h3-10,13,16H,2H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea?
1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea has a molecular weight of 399.24 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea is sourced from PubChem (CID 55696855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).