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

C21H22Cl2N2O3 — CID 9178794

IUPACN-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCCOc2ccc(Cl)cc2Cl)c2c(C)cc(C)cc21
InChIInChI=1S/C21H22Cl2N2O3/c1-12-9-13(2)20-16(10-12)19(24-14(3)26)21(27)25(20)7-4-8-28-18-6-5-15(22)11-17(18)23/h5-6,9-11,19H,4,7-8H2,1-3H3,(H,24,26)/t19-/m1/s1
InChIKeyWPWWNBPDJHUMLY-LJQANCHMSA-N
MW421.32 g/mol
LogP4.60
Rot. Bonds6

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

N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178794) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178794
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC NameN-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCCOc2ccc(Cl)cc2Cl)c2c(C)cc(C)cc21
InChIInChI=1S/C21H22Cl2N2O3/c1-12-9-13(2)20-16(10-12)19(24-14(3)26)21(27)25(20)7-4-8-28-18-6-5-15(22)11-17(18)23/h5-6,9-11,19H,4,7-8H2,1-3H3,(H,24,26)/t19-/m1/s1
InChIKeyWPWWNBPDJHUMLY-LJQANCHMSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178767
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447367
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-[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-[(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-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993
N-[(3R)-7-methyl-2-oxo-1-(3-phenoxypropyl)-3H-indol-3-yl]acetamide
CID 9178542
N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178957
N-[(3S)-4,7-dichloro-1-[3-(3-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179193

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide (CID 9178794) is N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@H]1C(=O)N(CCCOc2ccc(Cl)cc2Cl)c2c(C)cc(C)cc21.
What is the InChIKey of N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is WPWWNBPDJHUMLY-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c1-12-9-13(2)20-16(10-12)19(24-14(3)26)21(27)25(20)7-4-8-28-18-6-5-15(22)11-17(18)23/h5-6,9-11,19H,4,7-8H2,1-3H3,(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 421.32 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-(2,4-dichlorophenoxy)propyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).