1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea

C16H16FN3O — CID 105357655

IUPAC1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea
SMILESO=C(NCc1ccc2c(c1)CNC2)Nc1cccc(F)c1
InChIInChI=1S/C16H16FN3O/c17-14-2-1-3-15(7-14)20-16(21)19-8-11-4-5-12-9-18-10-13(12)6-11/h1-7,18H,8-10H2,(H2,19,20,21)
InChIKeyLQKBBCKYKWXIHQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.75
Rot. Bonds3

About 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea

1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea (PubChem CID 105357655) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea
PubChem CID105357655
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea
SMILESO=C(NCc1ccc2c(c1)CNC2)Nc1cccc(F)c1
InChIInChI=1S/C16H16FN3O/c17-14-2-1-3-15(7-14)20-16(21)19-8-11-4-5-12-9-18-10-13(12)6-11/h1-7,18H,8-10H2,(H2,19,20,21)
InChIKeyLQKBBCKYKWXIHQ-UHFFFAOYSA-N
XLogP2.75
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
4-[[(3-fluorophenyl)carbamoylamino]methyl]-N-methylbenzamide
CID 86986467
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
CID 105062382
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
CID 142259796
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
CID 108898481

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea (CID 105357655) is 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea is O=C(NCc1ccc2c(c1)CNC2)Nc1cccc(F)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea?
The InChIKey is LQKBBCKYKWXIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-14-2-1-3-15(7-14)20-16(21)19-8-11-4-5-12-9-18-10-13(12)6-11/h1-7,18H,8-10H2,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea?
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea has a molecular weight of 285.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 105357655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).