2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C20H21ClN2O3 — CID 53057396

IUPAC2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C20H21ClN2O3/c1-20(2)16-10-14(21)6-9-17(16)23(19(20)25)12-18(24)22-11-13-4-7-15(26-3)8-5-13/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKeyHWSZNQYUALRNHB-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.29
Rot. Bonds5

About 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 53057396) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID53057396
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C20H21ClN2O3/c1-20(2)16-10-14(21)6-9-17(16)23(19(20)25)12-18(24)22-11-13-4-7-15(26-3)8-5-13/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKeyHWSZNQYUALRNHB-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 53057396) is 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is HWSZNQYUALRNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-20(2)16-10-14(21)6-9-17(16)23(19(20)25)12-18(24)22-11-13-4-7-15(26-3)8-5-13/h4-10H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 372.85 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53057396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).