N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide

C19H19BrN2O2 — CID 112537434

IUPACN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide
SMILESCC(=O)N(C(=O)Cc1ccc(C)cc1)c1cc(Br)cc2c1NCC2
InChIInChI=1S/C19H19BrN2O2/c1-12-3-5-14(6-4-12)9-18(24)22(13(2)23)17-11-16(20)10-15-7-8-21-19(15)17/h3-6,10-11,21H,7-9H2,1-2H3
InChIKeyAMPKDTJZKUBDPP-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.85
Rot. Bonds3

About N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide

N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide (PubChem CID 112537434) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide
PubChem CID112537434
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide
SMILESCC(=O)N(C(=O)Cc1ccc(C)cc1)c1cc(Br)cc2c1NCC2
InChIInChI=1S/C19H19BrN2O2/c1-12-3-5-14(6-4-12)9-18(24)22(13(2)23)17-11-16(20)10-15-7-8-21-19(15)17/h3-6,10-11,21H,7-9H2,1-2H3
InChIKeyAMPKDTJZKUBDPP-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

Analyze N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide (CID 112537434) is N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide is CC(=O)N(C(=O)Cc1ccc(C)cc1)c1cc(Br)cc2c1NCC2.
What is the InChIKey of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is AMPKDTJZKUBDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12-3-5-14(6-4-12)9-18(24)22(13(2)23)17-11-16(20)10-15-7-8-21-19(15)17/h3-6,10-11,21H,7-9H2,1-2H3.
What are the key properties of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide?
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 387.28 g/mol, XLogP of 3.85, 3 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 112537434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).