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

C17H16F2N2O2 — CID 90499229

IUPAC1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
SMILESO=C(NCC1(O)CCc2ccccc21)Nc1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O2/c18-13-6-3-7-14(19)15(13)21-16(22)20-10-17(23)9-8-11-4-1-2-5-12(11)17/h1-7,23H,8-10H2,(H2,20,21,22)
InChIKeySWSXALTVTZFFBS-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.92
Rot. Bonds3

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

1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea (PubChem CID 90499229) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
PubChem CID90499229
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
SMILESO=C(NCC1(O)CCc2ccccc21)Nc1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O2/c18-13-6-3-7-14(19)15(13)21-16(22)20-10-17(23)9-8-11-4-1-2-5-12(11)17/h1-7,23H,8-10H2,(H2,20,21,22)
InChIKeySWSXALTVTZFFBS-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 75387625
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71782220
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
CID 90499217
2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
CID 71782180
1-(2,6-difluorophenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111431036
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
1-(3,5-dimethoxyphenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499236
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
1-(1,3-benzodioxol-5-yl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 71782217
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-naphthalen-1-ylacetamide
CID 71782153
N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide
CID 111110774

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea (CID 90499229) is 1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea is O=C(NCC1(O)CCc2ccccc21)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
The InChIKey is SWSXALTVTZFFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-13-6-3-7-14(19)15(13)21-16(22)20-10-17(23)9-8-11-4-1-2-5-12(11)17/h1-7,23H,8-10H2,(H2,20,21,22).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea has a molecular weight of 318.32 g/mol, XLogP of 2.92, 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-hydroxy-2,3-dihydroinden-1-yl)methyl]urea is sourced from PubChem (CID 90499229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).