N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide

C19H19BrN2O2 — CID 112536363

IUPACN-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
SMILESCC(=O)N1CCc2cc(Br)cc(NC(=O)Cc3ccccc3C)c21
InChIInChI=1S/C19H19BrN2O2/c1-12-5-3-4-6-14(12)10-18(24)21-17-11-16(20)9-15-7-8-22(13(2)23)19(15)17/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,24)
InChIKeyVEVQNWSUZICCPC-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.85
Rot. Bonds3

About N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide

N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide (PubChem CID 112536363) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
PubChem CID112536363
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
SMILESCC(=O)N1CCc2cc(Br)cc(NC(=O)Cc3ccccc3C)c21
InChIInChI=1S/C19H19BrN2O2/c1-12-5-3-4-6-14(12)10-18(24)21-17-11-16(20)9-15-7-8-22(13(2)23)19(15)17/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,24)
InChIKeyVEVQNWSUZICCPC-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide (CID 112536363) is N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide is CC(=O)N1CCc2cc(Br)cc(NC(=O)Cc3ccccc3C)c21.
What is the InChIKey of N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide?
The InChIKey is VEVQNWSUZICCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12-5-3-4-6-14(12)10-18(24)21-17-11-16(20)9-15-7-8-22(13(2)23)19(15)17/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,24).
What are the key properties of N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide?
N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide has a molecular weight of 387.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 112536363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).