N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide

C15H19BrN2O2 — CID 43346617

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
SMILESCC(=O)N1CCc2cc(NC(=O)C(Br)C(C)C)ccc21
InChIInChI=1S/C15H19BrN2O2/c1-9(2)14(16)15(20)17-12-4-5-13-11(8-12)6-7-18(13)10(3)19/h4-5,8-9,14H,6-7H2,1-3H3,(H,17,20)
InChIKeyGWYHWQUCSVHBHZ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.95
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide (PubChem CID 43346617) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
PubChem CID43346617
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
SMILESCC(=O)N1CCc2cc(NC(=O)C(Br)C(C)C)ccc21
InChIInChI=1S/C15H19BrN2O2/c1-9(2)14(16)15(20)17-12-4-5-13-11(8-12)6-7-18(13)10(3)19/h4-5,8-9,14H,6-7H2,1-3H3,(H,17,20)
InChIKeyGWYHWQUCSVHBHZ-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119690415
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
CID 107568450
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 25359317
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-chloro-2-fluoroacetamide
CID 166427902
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide (CID 43346617) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide is CC(=O)N1CCc2cc(NC(=O)C(Br)C(C)C)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide?
The InChIKey is GWYHWQUCSVHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-9(2)14(16)15(20)17-12-4-5-13-11(8-12)6-7-18(13)10(3)19/h4-5,8-9,14H,6-7H2,1-3H3,(H,17,20).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide has a molecular weight of 339.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide is sourced from PubChem (CID 43346617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).