1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea

C16H24F2N2O2 — CID 78833839

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
SMILESCC(C)CCC(C)NC(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C16H24F2N2O2/c1-11(2)8-9-12(3)20-16(21)19-10-13-6-4-5-7-14(13)22-15(17)18/h4-7,11-12,15H,8-10H2,1-3H3,(H2,19,20,21)
InChIKeyWXSBDMKCAGURMQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.91
Rot. Bonds8

About 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea

1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea (PubChem CID 78833839) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
PubChem CID78833839
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
SMILESCC(C)CCC(C)NC(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C16H24F2N2O2/c1-11(2)8-9-12(3)20-16(21)19-10-13-6-4-5-7-14(13)22-15(17)18/h4-7,11-12,15H,8-10H2,1-3H3,(H2,19,20,21)
InChIKeyWXSBDMKCAGURMQ-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methylhexan-2-yl)-3-[(2-methylphenyl)methyl]urea
CID 78833745
N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987896
5-[[2-(difluoromethoxy)phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62965388
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-sulfamoylpropyl)urea
CID 131961772
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea
CID 74225609
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 120505995
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111865004
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 42933502

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea (CID 78833839) is 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea is CC(C)CCC(C)NC(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea?
The InChIKey is WXSBDMKCAGURMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-11(2)8-9-12(3)20-16(21)19-10-13-6-4-5-7-14(13)22-15(17)18/h4-7,11-12,15H,8-10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea?
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea has a molecular weight of 314.38 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea is sourced from PubChem (CID 78833839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).