1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea

C15H20F2N2O2 — CID 111431036

IUPAC1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
SMILESO=C(NCC1(O)CCCCCC1)Nc1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O2/c16-11-6-5-7-12(17)13(11)19-14(20)18-10-15(21)8-3-1-2-4-9-15/h5-7,21H,1-4,8-10H2,(H2,18,19,20)
InChIKeyVFVKBBOPCSBJJA-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.17
Rot. Bonds3

About 1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea

1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea (PubChem CID 111431036) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
PubChem CID111431036
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
SMILESO=C(NCC1(O)CCCCCC1)Nc1c(F)cccc1F
InChIInChI=1S/C15H20F2N2O2/c16-11-6-5-7-12(17)13(11)19-14(20)18-10-15(21)8-3-1-2-4-9-15/h5-7,21H,1-4,8-10H2,(H2,18,19,20)
InChIKeyVFVKBBOPCSBJJA-UHFFFAOYSA-N
XLogP3.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 47091719
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499229
1-(2,4-difluorophenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 61238526
1-(2,3-difluorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936339
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446162
1-[(1-hydroxycyclobutyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 111437480

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea (CID 111431036) is 1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea is O=C(NCC1(O)CCCCCC1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea?
The InChIKey is VFVKBBOPCSBJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-11-6-5-7-12(17)13(11)19-14(20)18-10-15(21)8-3-1-2-4-9-15/h5-7,21H,1-4,8-10H2,(H2,18,19,20).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea has a molecular weight of 298.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea is sourced from PubChem (CID 111431036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).