N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C16H15FN2O — CID 103997880

IUPACN-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H15FN2O/c17-15-3-1-2-11(6-15)8-19-16(20)12-4-5-13-9-18-10-14(13)7-12/h1-7,18H,8-10H2,(H,19,20)
InChIKeyMFQOAKMYPZWWQO-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.36
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103997880) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103997880
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H15FN2O/c17-15-3-1-2-11(6-15)8-19-16(20)12-4-5-13-9-18-10-14(13)7-12/h1-7,18H,8-10H2,(H,19,20)
InChIKeyMFQOAKMYPZWWQO-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(3-fluorophenyl)acetamide
CID 105062315
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 60764843
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-(3-fluorophenyl)urea
CID 105357655
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
CID 105062382
N-[(4-cyanophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998461
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 105357527
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103997880) is N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(NCc1cccc(F)c1)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is MFQOAKMYPZWWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-15-3-1-2-11(6-15)8-19-16(20)12-4-5-13-9-18-10-14(13)7-12/h1-7,18H,8-10H2,(H,19,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103997880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).