3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide

C16H14Cl2N2O — CID 105062320

IUPAC3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-14-4-12(5-15(18)6-14)16(21)20-7-10-1-2-11-8-19-9-13(11)3-10/h1-6,19H,7-9H2,(H,20,21)
InChIKeyTZPJNNFMAPERKJ-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.53
Rot. Bonds3

About 3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide

3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide (PubChem CID 105062320) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide
PubChem CID105062320
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H14Cl2N2O/c17-14-4-12(5-15(18)6-14)16(21)20-7-10-1-2-11-8-19-9-13(11)3-10/h1-6,19H,7-9H2,(H,20,21)
InChIKeyTZPJNNFMAPERKJ-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-2-carboxamide
CID 105062322
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methylfuran-3-carboxamide
CID 105357534
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide
CID 106688632
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 105357527
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzamide
CID 105357575
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-difluorobenzamide
CID 105062382
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
CID 105062327
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-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
N-[(4-cyanophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998461
N-[(3-chloro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 172895173

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide (CID 105062320) is 3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide is O=C(NCc1ccc2c(c1)CNC2)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide?
The InChIKey is TZPJNNFMAPERKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-14-4-12(5-15(18)6-14)16(21)20-7-10-1-2-11-8-19-9-13(11)3-10/h1-6,19H,7-9H2,(H,20,21).
What are the key properties of 3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide?
3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide has a molecular weight of 321.21 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzamide is sourced from PubChem (CID 105062320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).