2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide

C24H24ClN3O2 — CID 146630557

IUPAC2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2c(C)c(-c3ccccc3C)c3cc(Cl)ccc32)C1
InChIInChI=1S/C24H24ClN3O2/c1-4-23(30)27-12-18(13-27)26-22(29)14-28-16(3)24(19-8-6-5-7-15(19)2)20-11-17(25)9-10-21(20)28/h4-11,18H,1,12-14H2,2-3H3,(H,26,29)
InChIKeyAKAUCOUWVLANHZ-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.09
Rot. Bonds5

About 2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide

2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide (PubChem CID 146630557) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
PubChem CID146630557
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide
SMILESC=CC(=O)N1CC(NC(=O)Cn2c(C)c(-c3ccccc3C)c3cc(Cl)ccc32)C1
InChIInChI=1S/C24H24ClN3O2/c1-4-23(30)27-12-18(13-27)26-22(29)14-28-16(3)24(19-8-6-5-7-15(19)2)20-11-17(25)9-10-21(20)28/h4-11,18H,1,12-14H2,2-3H3,(H,26,29)
InChIKeyAKAUCOUWVLANHZ-UHFFFAOYSA-N
XLogP4.09
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.09
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-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The IUPAC name of 2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide (CID 146630557) is 2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The canonical SMILES for 2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide is C=CC(=O)N1CC(NC(=O)Cn2c(C)c(-c3ccccc3C)c3cc(Cl)ccc32)C1.
What is the InChIKey of 2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
The InChIKey is AKAUCOUWVLANHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-4-23(30)27-12-18(13-27)26-22(29)14-28-16(3)24(19-8-6-5-7-15(19)2)20-11-17(25)9-10-21(20)28/h4-11,18H,1,12-14H2,2-3H3,(H,26,29).
What are the key properties of 2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide?
2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide has a molecular weight of 421.93 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-methyl-3-(2-methylphenyl)indol-1-yl]-N-(1-prop-2-enoylazetidin-3-yl)acetamide is sourced from PubChem (CID 146630557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).