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

C15H19FN2O2 — CID 111438432

IUPAC1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)NC1CCc2cc(F)ccc21
InChIInChI=1S/C15H19FN2O2/c16-11-3-4-12-10(8-11)2-5-13(12)18-14(19)17-9-15(20)6-1-7-15/h3-4,8,13,20H,1-2,5-7,9H2,(H2,17,18,19)
InChIKeyZIPJUTLACPYRRJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.03
Rot. Bonds3

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

1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111438432) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111438432
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCC1(O)CCC1)NC1CCc2cc(F)ccc21
InChIInChI=1S/C15H19FN2O2/c16-11-3-4-12-10(8-11)2-5-13(12)18-14(19)17-9-15(20)6-1-7-15/h3-4,8,13,20H,1-2,5-7,9H2,(H2,17,18,19)
InChIKeyZIPJUTLACPYRRJ-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 111974189
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(4-methylphenyl)methyl]urea
CID 60577386
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618833
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]cyclobutanecarboxamide
CID 94198795
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylurea
CID 116531124
1-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[(1-methylsulfinylcyclobutyl)methyl]urea
CID 122150033
1-[2,6-di(propan-2-yl)phenyl]-3-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]urea
CID 97018870

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111438432) is 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea is O=C(NCC1(O)CCC1)NC1CCc2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is ZIPJUTLACPYRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-11-3-4-12-10(8-11)2-5-13(12)18-14(19)17-9-15(20)6-1-7-15/h3-4,8,13,20H,1-2,5-7,9H2,(H2,17,18,19).
What are the key properties of 1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea?
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 278.33 g/mol, XLogP of 2.03, 3 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-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111438432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).