N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide

C23H21ClN2O3 — CID 9178998

IUPACN-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCCOc2ccc3ccccc3c2)c2ccc(Cl)cc21
InChIInChI=1S/C23H21ClN2O3/c1-15(27)25-22-20-14-18(24)8-10-21(20)26(23(22)28)11-4-12-29-19-9-7-16-5-2-3-6-17(16)13-19/h2-3,5-10,13-14,22H,4,11-12H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyGXUGJUXZLGOLLD-QFIPXVFZSA-N
MW408.89 g/mol
LogP4.49
Rot. Bonds6

About N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178998) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178998
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCCOc2ccc3ccccc3c2)c2ccc(Cl)cc21
InChIInChI=1S/C23H21ClN2O3/c1-15(27)25-22-20-14-18(24)8-10-21(20)26(23(22)28)11-4-12-29-19-9-7-16-5-2-3-6-17(16)13-19/h2-3,5-10,13-14,22H,4,11-12H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyGXUGJUXZLGOLLD-QFIPXVFZSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.49
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-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993
N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178957
N-[(3R)-7-methyl-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178562
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9178940
N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178903
N-[(3R)-1-[3-(4-methylphenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178364
N-[(3R)-5-methyl-1-(3-naphthalen-1-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178450
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-[(3R)-1-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178440
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide
CID 51575263

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide (CID 9178998) is N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(CCCOc2ccc3ccccc3c2)c2ccc(Cl)cc21.
What is the InChIKey of N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is GXUGJUXZLGOLLD-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-15(27)25-22-20-14-18(24)8-10-21(20)26(23(22)28)11-4-12-29-19-9-7-16-5-2-3-6-17(16)13-19/h2-3,5-10,13-14,22H,4,11-12H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 408.89 g/mol, XLogP of 4.49, 6 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-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).