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

C17H17FN2O — CID 105062315

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C17H17FN2O/c18-16-3-1-2-12(7-16)8-17(21)20-9-13-4-5-14-10-19-11-15(14)6-13/h1-7,19H,8-11H2,(H,20,21)
InChIKeySEZZAJGSXRMXJZ-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.29
Rot. Bonds4

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

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide (PubChem CID 105062315) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
PubChem CID105062315
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1ccc2c(c1)CNC2
InChIInChI=1S/C17H17FN2O/c18-16-3-1-2-12(7-16)8-17(21)20-9-13-4-5-14-10-19-11-15(14)6-13/h1-7,19H,8-11H2,(H,20,21)
InChIKeySEZZAJGSXRMXJZ-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea
CID 105357655
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
CID 105062382
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-(4-fluorophenyl)pyridine-2-carboxamide
CID 167913641
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-6-fluoroquinoline-2-carboxamide
CID 167766096
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
2-cyclohexyl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)acetamide
CID 105062462
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluoropyridine-4-carboxamide
CID 105062273

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide (CID 105062315) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NCc1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide?
The InChIKey is SEZZAJGSXRMXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-16-3-1-2-12(7-16)8-17(21)20-9-13-4-5-14-10-19-11-15(14)6-13/h1-7,19H,8-11H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide has a molecular weight of 284.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 105062315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).