2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide

C25H24ClN3O2 — CID 146630508

IUPAC2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2cc(C3CC3)c3ccc(-c4ccccc4Cl)cc32)C1
InChIInChI=1S/C25H24ClN3O2/c1-2-25(31)29-12-18(13-29)27-24(30)15-28-14-21(16-7-8-16)20-10-9-17(11-23(20)28)19-5-3-4-6-22(19)26/h2-6,9-11,14,16,18H,1,7-8,12-13,15H2,(H,27,30)
InChIKeyGIWRAAOVWQXQPV-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.35
Rot. Bonds6

About 2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide

2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide (PubChem CID 146630508) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
PubChem CID146630508
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2cc(C3CC3)c3ccc(-c4ccccc4Cl)cc32)C1
InChIInChI=1S/C25H24ClN3O2/c1-2-25(31)29-12-18(13-29)27-24(30)15-28-14-21(16-7-8-16)20-10-9-17(11-23(20)28)19-5-3-4-6-22(19)26/h2-6,9-11,14,16,18H,1,7-8,12-13,15H2,(H,27,30)
InChIKeyGIWRAAOVWQXQPV-UHFFFAOYSA-N
XLogP4.35
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The IUPAC name of 2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide (CID 146630508) is 2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The canonical SMILES for 2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide is C=CC(=O)N1CC(NC(=O)Cn2cc(C3CC3)c3ccc(-c4ccccc4Cl)cc32)C1.
What is the InChIKey of 2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The InChIKey is GIWRAAOVWQXQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-2-25(31)29-12-18(13-29)27-24(30)15-28-14-21(16-7-8-16)20-10-9-17(11-23(20)28)19-5-3-4-6-22(19)26/h2-6,9-11,14,16,18H,1,7-8,12-13,15H2,(H,27,30).
What are the key properties of 2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide has a molecular weight of 433.94 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-chlorophenyl)-3-cyclopropylindol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide is sourced from PubChem (CID 146630508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).