1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea

C13H17FN2O — CID 75522852

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea
SMILESO=C(NCCCF)NC1Cc2ccccc2C1
InChIInChI=1S/C13H17FN2O/c14-6-3-7-15-13(17)16-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12H,3,6-9H2,(H2,15,16,17)
InChIKeyCBQFNABTKHRRTO-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.81
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea

1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea (PubChem CID 75522852) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea
PubChem CID75522852
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea
SMILESO=C(NCCCF)NC1Cc2ccccc2C1
InChIInChI=1S/C13H17FN2O/c14-6-3-7-15-13(17)16-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12H,3,6-9H2,(H2,15,16,17)
InChIKeyCBQFNABTKHRRTO-UHFFFAOYSA-N
XLogP1.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 114007977
1-(2,3-dihydro-1H-inden-2-yl)-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 86791947
1-(2,3-dihydro-1H-inden-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 3496710
1-[2-(cyclobutylmethylsulfonyl)ethyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 75522874
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide
CID 157480379
2-[(2,3-dihydro-1H-inden-2-ylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 107843074
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107839632
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108
1-(2,3-dihydro-1H-inden-2-yl)-3-[(4-methylsulfinylphenyl)methyl]urea
CID 86791983
3-(cyclopropylamino)-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 107842751

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea (CID 75522852) is 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea is O=C(NCCCF)NC1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea?
The InChIKey is CBQFNABTKHRRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-6-3-7-15-13(17)16-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12H,3,6-9H2,(H2,15,16,17).
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea?
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea has a molecular weight of 236.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea is sourced from PubChem (CID 75522852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).