N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C17H17ClN2O — CID 103999236

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O/c1-11(15-4-2-3-5-16(15)18)20-17(21)12-6-7-13-9-19-10-14(13)8-12/h2-8,11,19H,9-10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyIOBPRZNVRIJECX-LLVKDONJSA-N
MW300.79 g/mol
LogP3.43
Rot. Bonds3

About N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103999236) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103999236
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O/c1-11(15-4-2-3-5-16(15)18)20-17(21)12-6-7-13-9-19-10-14(13)8-12/h2-8,11,19H,9-10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyIOBPRZNVRIJECX-LLVKDONJSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999224
N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997950
N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998735
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
N-[1-(2-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 51185029
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
methyl (2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3-methylbutanoate
CID 103998348

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103999236) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is IOBPRZNVRIJECX-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11(15-4-2-3-5-16(15)18)20-17(21)12-6-7-13-9-19-10-14(13)8-12/h2-8,11,19H,9-10H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103999236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).