2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide

C27H27BrN4O4 — CID 146630504

IUPAC2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2cc(C(=O)N3CCOC(c4ccccc4)C3)c3cc(Br)ccc32)C1
InChIInChI=1S/C27H27BrN4O4/c1-2-26(34)32-13-20(14-32)29-25(33)17-31-15-22(21-12-19(28)8-9-23(21)31)27(35)30-10-11-36-24(16-30)18-6-4-3-5-7-18/h2-9,12,15,20,24H,1,10-11,13-14,16-17H2,(H,29,33)
InChIKeyQDFQIMHXOGDSSC-UHFFFAOYSA-N
MW551.44 g/mol
LogP3.13
Rot. Bonds6

About 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide

2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide (PubChem CID 146630504) has the molecular formula C27H27BrN4O4 and a molecular weight of 551.44 g/mol. Its IUPAC name is 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
PubChem CID146630504
Molecular FormulaC27H27BrN4O4
Molecular Weight551.44 g/mol
Exact Mass550.12
IUPAC Name2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2cc(C(=O)N3CCOC(c4ccccc4)C3)c3cc(Br)ccc32)C1
InChIInChI=1S/C27H27BrN4O4/c1-2-26(34)32-13-20(14-32)29-25(33)17-31-15-22(21-12-19(28)8-9-23(21)31)27(35)30-10-11-36-24(16-30)18-6-4-3-5-7-18/h2-9,12,15,20,24H,1,10-11,13-14,16-17H2,(H,29,33)
InChIKeyQDFQIMHXOGDSSC-UHFFFAOYSA-N
XLogP3.13
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The IUPAC name of 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide (CID 146630504) is 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The canonical SMILES for 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide is C=CC(=O)N1CC(NC(=O)Cn2cc(C(=O)N3CCOC(c4ccccc4)C3)c3cc(Br)ccc32)C1.
What is the InChIKey of 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The InChIKey is QDFQIMHXOGDSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrN4O4/c1-2-26(34)32-13-20(14-32)29-25(33)17-31-15-22(21-12-19(28)8-9-23(21)31)27(35)30-10-11-36-24(16-30)18-6-4-3-5-7-18/h2-9,12,15,20,24H,1,10-11,13-14,16-17H2,(H,29,33).
What are the key properties of 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide has a molecular weight of 551.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-(2-phenylmorpholine-4-carbonyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide is sourced from PubChem (CID 146630504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).