1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea

C19H27FN2O2 — CID 111974189

IUPAC1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
SMILESO=C(NCC1(CCO)CCCCC1)NC1CCc2cc(F)ccc21
InChIInChI=1S/C19H27FN2O2/c20-15-5-6-16-14(12-15)4-7-17(16)22-18(24)21-13-19(10-11-23)8-2-1-3-9-19/h5-6,12,17,23H,1-4,7-11,13H2,(H2,21,22,24)
InChIKeyWZGOHBOCGMJBSR-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.45
Rot. Bonds5

About 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea (PubChem CID 111974189) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
PubChem CID111974189
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
SMILESO=C(NCC1(CCO)CCCCC1)NC1CCc2cc(F)ccc21
InChIInChI=1S/C19H27FN2O2/c20-15-5-6-16-14(12-15)4-7-17(16)22-18(24)21-13-19(10-11-23)8-2-1-3-9-19/h5-6,12,17,23H,1-4,7-11,13H2,(H2,21,22,24)
InChIKeyWZGOHBOCGMJBSR-UHFFFAOYSA-N
XLogP3.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea with MolForge

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Related Compounds

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438432
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111618659
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea
CID 60577386
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
2-[3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]oxolan-3-yl]ethanol
CID 75483141
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111454816
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea
CID 122150033

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea (CID 111974189) is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea is O=C(NCC1(CCO)CCCCC1)NC1CCc2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea?
The InChIKey is WZGOHBOCGMJBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-15-5-6-16-14(12-15)4-7-17(16)22-18(24)21-13-19(10-11-23)8-2-1-3-9-19/h5-6,12,17,23H,1-4,7-11,13H2,(H2,21,22,24).
What are the key properties of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea?
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea has a molecular weight of 334.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea is sourced from PubChem (CID 111974189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).