N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide

C17H18N2O2 — CID 105357527

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1O
InChIInChI=1S/C17H18N2O2/c1-11-2-4-13(7-16(11)20)17(21)19-8-12-3-5-14-9-18-10-15(14)6-12/h2-7,18,20H,8-10H2,1H3,(H,19,21)
InChIKeyCCCLWPQHNFKCSK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.23
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide (PubChem CID 105357527) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide
PubChem CID105357527
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1O
InChIInChI=1S/C17H18N2O2/c1-11-2-4-13(7-16(11)20)17(21)19-8-12-3-5-14-9-18-10-15(14)6-12/h2-7,18,20H,8-10H2,1H3,(H,19,21)
InChIKeyCCCLWPQHNFKCSK-UHFFFAOYSA-N
XLogP2.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzamide
CID 105357575
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methylfuran-3-carboxamide
CID 105357534
3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide
CID 105062320
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
N-[(4-cyanophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998461
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998665
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylthiophene-2-carboxamide
CID 103403908
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998680
3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56904541

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide (CID 105357527) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1O.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide?
The InChIKey is CCCLWPQHNFKCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-2-4-13(7-16(11)20)17(21)19-8-12-3-5-14-9-18-10-15(14)6-12/h2-7,18,20H,8-10H2,1H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 105357527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).