N-(1,3-dihydroisoindol-2-yl)benzamide

C15H14N2O — CID 3118896

IUPACN-(1,3-dihydroisoindol-2-yl)benzamide
SMILESO=C(NN1Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C15H14N2O/c18-15(12-6-2-1-3-7-12)16-17-10-13-8-4-5-9-14(13)11-17/h1-9H,10-11H2,(H,16,18)
InChIKeyBNPUFOYNMQYLBD-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.35
Rot. Bonds2

About N-(1,3-dihydroisoindol-2-yl)benzamide

N-(1,3-dihydroisoindol-2-yl)benzamide (PubChem CID 3118896) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1,3-dihydroisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-dihydroisoindol-2-yl)benzamide
PubChem CID3118896
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-(1,3-dihydroisoindol-2-yl)benzamide
SMILESO=C(NN1Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C15H14N2O/c18-15(12-6-2-1-3-7-12)16-17-10-13-8-4-5-9-14(13)11-17/h1-9H,10-11H2,(H,16,18)
InChIKeyBNPUFOYNMQYLBD-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10014162
N-(4-anilinopiperidin-1-yl)benzamide
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N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 652836
cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid
CID 159033782
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
N-pyrazol-1-ylbenzamide
CID 57160205
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
(4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate
CID 10270611
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
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CID 23660030

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroisoindol-2-yl)benzamide?
The IUPAC name of N-(1,3-dihydroisoindol-2-yl)benzamide (CID 3118896) is N-(1,3-dihydroisoindol-2-yl)benzamide.
What is the SMILES notation for N-(1,3-dihydroisoindol-2-yl)benzamide?
The canonical SMILES for N-(1,3-dihydroisoindol-2-yl)benzamide is O=C(NN1Cc2ccccc2C1)c1ccccc1.
What is the InChIKey of N-(1,3-dihydroisoindol-2-yl)benzamide?
The InChIKey is BNPUFOYNMQYLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15(12-6-2-1-3-7-12)16-17-10-13-8-4-5-9-14(13)11-17/h1-9H,10-11H2,(H,16,18).
What are the key properties of N-(1,3-dihydroisoindol-2-yl)benzamide?
N-(1,3-dihydroisoindol-2-yl)benzamide has a molecular weight of 238.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroisoindol-2-yl)benzamide is sourced from PubChem (CID 3118896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).