N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide

C19H19ClN2O3 — CID 9178957

IUPACN-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCOc2ccc(C)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2O3/c1-12-3-6-15(7-4-12)25-10-9-22-17-8-5-14(20)11-16(17)18(19(22)24)21-13(2)23/h3-8,11,18H,9-10H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyLTLDQPPBLXNTIL-SFHVURJKSA-N
MW358.83 g/mol
LogP3.25
Rot. Bonds5

About N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178957) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178957
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCOc2ccc(C)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2O3/c1-12-3-6-15(7-4-12)25-10-9-22-17-8-5-14(20)11-16(17)18(19(22)24)21-13(2)23/h3-8,11,18H,9-10H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyLTLDQPPBLXNTIL-SFHVURJKSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993
N-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178440
N-[(3R)-1-[2-(4-tert-butylphenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178434
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178998
N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178903
N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178925
N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 7447387
N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178417
N-[(3S)-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178779
N-[(3S)-1-[2-(2,4-dichlorophenoxy)ethyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178767

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide (CID 9178957) is N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(CCOc2ccc(C)cc2)c2ccc(Cl)cc21.
What is the InChIKey of N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is LTLDQPPBLXNTIL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-12-3-6-15(7-4-12)25-10-9-22-17-8-5-14(20)11-16(17)18(19(22)24)21-13(2)23/h3-8,11,18H,9-10H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 358.83 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).