5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide

C16H16ClN3O — CID 105358002

IUPAC5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCc1ccc2c(c1)CNC2
InChIInChI=1S/C16H16ClN3O/c17-13-3-4-15(14(6-13)16(18)21)20-7-10-1-2-11-8-19-9-12(11)5-10/h1-6,19-20H,7-9H2,(H2,18,21)
InChIKeyVVODMEUFNGUTKI-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.65
Rot. Bonds4

About 5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide

5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide (PubChem CID 105358002) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide.

Molecular Properties

Compound Name5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide
PubChem CID105358002
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCc1ccc2c(c1)CNC2
InChIInChI=1S/C16H16ClN3O/c17-13-3-4-15(14(6-13)16(18)21)20-7-10-1-2-11-8-19-9-12(11)5-10/h1-6,19-20H,7-9H2,(H2,18,21)
InChIKeyVVODMEUFNGUTKI-UHFFFAOYSA-N
XLogP2.65
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide?
The IUPAC name of 5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide (CID 105358002) is 5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide.
What is the SMILES notation for 5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide?
The canonical SMILES for 5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide is NC(=O)c1cc(Cl)ccc1NCc1ccc2c(c1)CNC2.
What is the InChIKey of 5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide?
The InChIKey is VVODMEUFNGUTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-13-3-4-15(14(6-13)16(18)21)20-7-10-1-2-11-8-19-9-12(11)5-10/h1-6,19-20H,7-9H2,(H2,18,21).
What are the key properties of 5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide?
5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide has a molecular weight of 301.78 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzamide is sourced from PubChem (CID 105358002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).