2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide

C19H17Cl2N3O3 — CID 41008155

IUPAC2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N[C@@]1(CC(=O)Nc2c(Cl)cccc2Cl)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H17Cl2N3O3/c1-11(25)23-19(12-6-3-4-9-15(12)24(2)18(19)27)10-16(26)22-17-13(20)7-5-8-14(17)21/h3-9H,10H2,1-2H3,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyMCQXJHQHQXHFML-LJQANCHMSA-N
MW406.27 g/mol
LogP3.33
Rot. Bonds4

About 2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide

2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 41008155) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is 2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide
PubChem CID41008155
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N[C@@]1(CC(=O)Nc2c(Cl)cccc2Cl)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H17Cl2N3O3/c1-11(25)23-19(12-6-3-4-9-15(12)24(2)18(19)27)10-16(26)22-17-13(20)7-5-8-14(17)21/h3-9H,10H2,1-2H3,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyMCQXJHQHQXHFML-LJQANCHMSA-N
XLogP3.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-phenylacetamide
CID 40946799
2-[(3R)-3-acetamido-2-oxo-1-propan-2-ylindol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 40961307
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide
CID 11197628
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
(3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one
CID 5396666
N-(2,6-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 60695302
N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-propan-2-ylacetamide
CID 95555970

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide (CID 41008155) is 2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide is CC(=O)N[C@@]1(CC(=O)Nc2c(Cl)cccc2Cl)C(=O)N(C)c2ccccc21.
What is the InChIKey of 2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is MCQXJHQHQXHFML-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-11(25)23-19(12-6-3-4-9-15(12)24(2)18(19)27)10-16(26)22-17-13(20)7-5-8-14(17)21/h3-9H,10H2,1-2H3,(H,22,26)(H,23,25)/t19-/m1/s1.
What are the key properties of 2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide?
2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 406.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-acetamido-1-methyl-2-oxoindol-3-yl]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 41008155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).