N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide

C20H20Cl2N2O3 — CID 9179192

IUPACN-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2C)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C20H20Cl2N2O3/c1-12-6-3-4-7-16(12)27-11-5-10-24-19-15(22)9-8-14(21)17(19)18(20(24)26)23-13(2)25/h3-4,6-9,18H,5,10-11H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyYIPOTKVCDREGTE-GOSISDBHSA-N
MW407.30 g/mol
LogP4.29
Rot. Bonds6

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

N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9179192) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9179192
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC NameN-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2C)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C20H20Cl2N2O3/c1-12-6-3-4-7-16(12)27-11-5-10-24-19-15(22)9-8-14(21)17(19)18(20(24)26)23-13(2)25/h3-4,6-9,18H,5,10-11H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyYIPOTKVCDREGTE-GOSISDBHSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.29
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)-4,7-dichloro-1-[3-(3-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9179193
N-[(3R)-5,7-dimethyl-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178752
N-[(3S)-1-[2-(2-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7447200
N-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178644
N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7219614
N-[(3R)-7-methyl-2-oxo-1-(3-phenoxypropyl)-3H-indol-3-yl]acetamide
CID 9178542
N-[(3S)-4,7-dichloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9179146
N-[(3S)-5,7-dimethyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178795
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-methoxyphenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178530
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-7-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447367
N-[(3R)-7-methyl-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178562

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide (CID 9179192) is N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@H]1C(=O)N(CCCOc2ccccc2C)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is YIPOTKVCDREGTE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-12-6-3-4-7-16(12)27-11-5-10-24-19-15(22)9-8-14(21)17(19)18(20(24)26)23-13(2)25/h3-4,6-9,18H,5,10-11H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 407.30 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,7-dichloro-1-[3-(2-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9179192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).