N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

C20H20Cl2N2O3 — CID 9178767

IUPACN-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCOc2ccc(Cl)cc2Cl)c2c(C)cc(C)cc21
InChIInChI=1S/C20H20Cl2N2O3/c1-11-8-12(2)19-15(9-11)18(23-13(3)25)20(26)24(19)6-7-27-17-5-4-14(21)10-16(17)22/h4-5,8-10,18H,6-7H2,1-3H3,(H,23,25)/t18-/m0/s1
InChIKeyBSJYACIKZOBVJW-SFHVURJKSA-N
MW407.30 g/mol
LogP4.21
Rot. Bonds5

About N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178767) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178767
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC NameN-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCOc2ccc(Cl)cc2Cl)c2c(C)cc(C)cc21
InChIInChI=1S/C20H20Cl2N2O3/c1-11-8-12(2)19-15(9-11)18(23-13(3)25)20(26)24(19)6-7-27-17-5-4-14(21)10-16(17)22/h4-5,8-10,18H,6-7H2,1-3H3,(H,23,25)/t18-/m0/s1
InChIKeyBSJYACIKZOBVJW-SFHVURJKSA-N
XLogP4.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide with MolForge

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Related Compounds

N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178794
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447367
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178440
N-[(3R)-5,7-dimethyl-2-oxo-1-(2-phenoxyethyl)-3H-indol-3-yl]acetamide
CID 9178750
N-[(3S)-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178779
N-[(3S)-5,7-dimethyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178795
N-[(3R)-1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 2223279
N-(1-benzyl-5,7-dimethyl-2-oxo-3H-indol-3-yl)acetamide
CID 2967336
N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178957
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178530
N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178417
N-[(3S)-4,7-dimethyl-1-[2-(3-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178639

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178767) is N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(CCOc2ccc(Cl)cc2Cl)c2c(C)cc(C)cc21.
What is the InChIKey of N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is BSJYACIKZOBVJW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-11-8-12(2)19-15(9-11)18(23-13(3)25)20(26)24(19)6-7-27-17-5-4-14(21)10-16(17)22/h4-5,8-10,18H,6-7H2,1-3H3,(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 407.30 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).