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

C18H18F2N2O2 — CID 91631375

IUPAC1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea
SMILESCOC1(CNC(=O)Nc2c(F)cccc2F)Cc2ccccc2C1
InChIInChI=1S/C18H18F2N2O2/c1-24-18(9-12-5-2-3-6-13(12)10-18)11-21-17(23)22-16-14(19)7-4-8-15(16)20/h2-8H,9-11H2,1H3,(H2,21,22,23)
InChIKeyGUFJMKVLFXIHQR-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.27
Rot. Bonds4

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

1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea (PubChem CID 91631375) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea
PubChem CID91631375
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea
SMILESCOC1(CNC(=O)Nc2c(F)cccc2F)Cc2ccccc2C1
InChIInChI=1S/C18H18F2N2O2/c1-24-18(9-12-5-2-3-6-13(12)10-18)11-21-17(23)22-16-14(19)7-4-8-15(16)20/h2-8H,9-11H2,1H3,(H2,21,22,23)
InChIKeyGUFJMKVLFXIHQR-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea (CID 91631375) is 1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea is COC1(CNC(=O)Nc2c(F)cccc2F)Cc2ccccc2C1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
The InChIKey is GUFJMKVLFXIHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-24-18(9-12-5-2-3-6-13(12)10-18)11-21-17(23)22-16-14(19)7-4-8-15(16)20/h2-8H,9-11H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]urea has a molecular weight of 332.35 g/mol, XLogP of 3.27, 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-1,3-dihydroinden-2-yl)methyl]urea is sourced from PubChem (CID 91631375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).