N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide

C19H20N2O2 — CID 53093722

IUPACN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-18(22)20-13-14-8-9-17-16(12-14)10-11-21(17)19(23)15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)
InChIKeyOBFNOZCWJALGBE-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.92
Rot. Bonds4

About N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide

N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide (PubChem CID 53093722) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide
PubChem CID53093722
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-18(22)20-13-14-8-9-17-16(12-14)10-11-21(17)19(23)15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,22)
InChIKeyOBFNOZCWJALGBE-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide?
The IUPAC name of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide (CID 53093722) is N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide?
The canonical SMILES for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide is CCC(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccccc1.
What is the InChIKey of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide?
The InChIKey is OBFNOZCWJALGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-18(22)20-13-14-8-9-17-16(12-14)10-11-21(17)19(23)15-6-4-3-5-7-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,22).
What are the key properties of N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide?
N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide has a molecular weight of 308.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzoyl-2,3-dihydroindol-5-yl)methyl]propanamide is sourced from PubChem (CID 53093722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).