2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide

C18H20BrN3O2 — CID 146630868

IUPAC2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(N(C)C(=O)Cn2ccc3cc(Br)ccc32)C1C
InChIInChI=1S/C18H20BrN3O2/c1-4-17(23)22-10-16(12(22)2)20(3)18(24)11-21-8-7-13-9-14(19)5-6-15(13)21/h4-9,12,16H,1,10-11H2,2-3H3
InChIKeyPLVLJVHMUJJCHC-UHFFFAOYSA-N
MW390.28 g/mol
LogP2.65
Rot. Bonds4

About 2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide

2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide (PubChem CID 146630868) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide
PubChem CID146630868
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(N(C)C(=O)Cn2ccc3cc(Br)ccc32)C1C
InChIInChI=1S/C18H20BrN3O2/c1-4-17(23)22-10-16(12(22)2)20(3)18(24)11-21-8-7-13-9-14(19)5-6-15(13)21/h4-9,12,16H,1,10-11H2,2-3H3
InChIKeyPLVLJVHMUJJCHC-UHFFFAOYSA-N
XLogP2.65
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoroindol-1-yl)-3-(1-prop-2-enoylazetidin-3-yl)propan-2-one
CID 159257357
2-(5-bromoindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 62024127
2-(5-aminoindol-1-yl)-N,N-dimethylacetamide
CID 43165387
N-[(5-bromoindol-1-yl)methyl]acetamide
CID 173119259
2-(5-carbamothioylindol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 107920598
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
2-(5-fluoroindol-1-yl)-N-(1-prop-2-enoylazetidin-3-yl)acetamide
CID 146631220
2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 63567580
1-[2-(5-bromoindol-1-yl)acetyl]piperidin-4-one
CID 62025773
bis[(2S)-2-amino-1-(5-bromoindol-1-yl)propan-2-yl] (E)-but-2-enedioate
CID 67737630
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-(5-fluoroindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63850467

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide?
The IUPAC name of 2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide (CID 146630868) is 2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide?
The canonical SMILES for 2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide is C=CC(=O)N1CC(N(C)C(=O)Cn2ccc3cc(Br)ccc32)C1C.
What is the InChIKey of 2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide?
The InChIKey is PLVLJVHMUJJCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-4-17(23)22-10-16(12(22)2)20(3)18(24)11-21-8-7-13-9-14(19)5-6-15(13)21/h4-9,12,16H,1,10-11H2,2-3H3.
What are the key properties of 2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide?
2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide has a molecular weight of 390.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-N-methyl-N-(2-methyl-1-prop-2-enoylazetidin-3-yl)acetamide is sourced from PubChem (CID 146630868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).