N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide

C14H17BrN2O2 — CID 112537467

IUPACN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide
SMILESCC(=O)N(C(=O)C(C)C)c1cc(Br)cc2c1NCC2
InChIInChI=1S/C14H17BrN2O2/c1-8(2)14(19)17(9(3)18)12-7-11(15)6-10-4-5-16-13(10)12/h6-8,16H,4-5H2,1-3H3
InChIKeySZMLXWWOVCYORM-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.95
Rot. Bonds2

About N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide

N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide (PubChem CID 112537467) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide
PubChem CID112537467
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide
SMILESCC(=O)N(C(=O)C(C)C)c1cc(Br)cc2c1NCC2
InChIInChI=1S/C14H17BrN2O2/c1-8(2)14(19)17(9(3)18)12-7-11(15)6-10-4-5-16-13(10)12/h6-8,16H,4-5H2,1-3H3
InChIKeySZMLXWWOVCYORM-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide?
The IUPAC name of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide (CID 112537467) is N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide.
What is the SMILES notation for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide?
The canonical SMILES for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide is CC(=O)N(C(=O)C(C)C)c1cc(Br)cc2c1NCC2.
What is the InChIKey of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide?
The InChIKey is SZMLXWWOVCYORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-8(2)14(19)17(9(3)18)12-7-11(15)6-10-4-5-16-13(10)12/h6-8,16H,4-5H2,1-3H3.
What are the key properties of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide?
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide has a molecular weight of 325.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-methylpropanamide is sourced from PubChem (CID 112537467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).