N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide

C20H20BrFN2O — CID 55594454

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C20H20BrFN2O/c1-3-24(12-14-10-15(21)8-9-18(14)22)20(25)11-17-13(2)23-19-7-5-4-6-16(17)19/h4-10,23H,3,11-12H2,1-2H3
InChIKeyPNEWWPMIZUIUSH-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.97
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 55594454) has the molecular formula C20H20BrFN2O and a molecular weight of 403.30 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID55594454
Molecular FormulaC20H20BrFN2O
Molecular Weight403.30 g/mol
Exact Mass402.07
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C20H20BrFN2O/c1-3-24(12-14-10-15(21)8-9-18(14)22)20(25)11-17-13(2)23-19-7-5-4-6-16(17)19/h4-10,23H,3,11-12H2,1-2H3
InChIKeyPNEWWPMIZUIUSH-UHFFFAOYSA-N
XLogP4.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55596607
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 61022230
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55594340
N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 16673637
N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 60742837
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride
CID 120591120
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 55594554
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 120591123
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 55580692
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761321

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide (CID 55594454) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide is CCN(Cc1cc(Br)ccc1F)C(=O)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is PNEWWPMIZUIUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN2O/c1-3-24(12-14-10-15(21)8-9-18(14)22)20(25)11-17-13(2)23-19-7-5-4-6-16(17)19/h4-10,23H,3,11-12H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 403.30 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 55594454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).