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

C19H24F2N2O2 — CID 90624370

IUPAC1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea
SMILESCOC1(CNC(=O)Nc2c(F)cccc2F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24F2N2O2/c1-25-19(13-6-11-5-12(8-13)9-14(19)7-11)10-22-18(24)23-17-15(20)3-2-4-16(17)21/h2-4,11-14H,5-10H2,1H3,(H2,22,23,24)
InChIKeyDAPUKGSFWORRBN-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.93
Rot. Bonds4

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

1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea (PubChem CID 90624370) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea
PubChem CID90624370
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea
SMILESCOC1(CNC(=O)Nc2c(F)cccc2F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24F2N2O2/c1-25-19(13-6-11-5-12(8-13)9-14(19)7-11)10-22-18(24)23-17-15(20)3-2-4-16(17)21/h2-4,11-14H,5-10H2,1H3,(H2,22,23,24)
InChIKeyDAPUKGSFWORRBN-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxy-2-adamantyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90624383
2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]acetamide
CID 72719733
3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624072
2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624123
1-benzhydryl-3-[(2-methoxy-2-adamantyl)methyl]urea
CID 90600235
N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 90624100
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
1-(2,6-difluorophenyl)-3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]urea
CID 122252778
3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624121
N-[(2-methoxy-2-adamantyl)methyl]-2-phenoxybenzamide
CID 90600227
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
CID 90624340

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea (CID 90624370) is 1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea is COC1(CNC(=O)Nc2c(F)cccc2F)C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea?
The InChIKey is DAPUKGSFWORRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-25-19(13-6-11-5-12(8-13)9-14(19)7-11)10-22-18(24)23-17-15(20)3-2-4-16(17)21/h2-4,11-14H,5-10H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea has a molecular weight of 350.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(2-methoxy-2-adamantyl)methyl]urea is sourced from PubChem (CID 90624370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).