N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide

C20H21ClN2O2 — CID 53057430

IUPACN-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
SMILESCc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13-4-9-17-16(10-13)20(2,3)19(25)23(17)12-18(24)22-11-14-5-7-15(21)8-6-14/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKeyIONFENVGSZEQDP-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.59
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide (PubChem CID 53057430) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
PubChem CID53057430
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
SMILESCc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O2/c1-13-4-9-17-16(10-13)20(2,3)19(25)23(17)12-18(24)22-11-14-5-7-15(21)8-6-14/h4-10H,11-12H2,1-3H3,(H,22,24)
InChIKeyIONFENVGSZEQDP-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53057389
N-(4-ethylphenyl)-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057444
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 91945450
N-[(2,5-dimethoxyphenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057512
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 53057385
N-(4-methyl-1,3-thiazol-2-yl)-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 20931286
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-(4-fluorophenyl)propyl]acetamide
CID 110279612
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 53057407
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 53057392
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801238
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 22583355
N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2583083

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide (CID 53057430) is N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide is Cc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide?
The InChIKey is IONFENVGSZEQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-4-9-17-16(10-13)20(2,3)19(25)23(17)12-18(24)22-11-14-5-7-15(21)8-6-14/h4-10H,11-12H2,1-3H3,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide has a molecular weight of 356.85 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide is sourced from PubChem (CID 53057430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).