N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide

C17H17FN2O — CID 103998007

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C17H17FN2O/c1-20(11-12-2-6-16(18)7-3-12)17(21)13-4-5-14-9-19-10-15(14)8-13/h2-8,19H,9-11H2,1H3
InChIKeyLAPNXERKFNHGKW-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.70
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide

N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998007) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998007
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C17H17FN2O/c1-20(11-12-2-6-16(18)7-3-12)17(21)13-4-5-14-9-19-10-15(14)8-13/h2-8,19H,9-11H2,1H3
InChIKeyLAPNXERKFNHGKW-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetic acid
CID 112547658
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
N-methyl-N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999072
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999017
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-(2-cyanoethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997858

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998007) is N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is LAPNXERKFNHGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20(11-12-2-6-16(18)7-3-12)17(21)13-4-5-14-9-19-10-15(14)8-13/h2-8,19H,9-11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).