N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide

C21H23ClN2O3 — CID 9178940

IUPACN-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCOc1ccc(CN2C(=O)[C@H](NC(C)=O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C21H23ClN2O3/c1-3-4-11-27-17-8-5-15(6-9-17)13-24-19-10-7-16(22)12-18(19)20(21(24)26)23-14(2)25/h5-10,12,20H,3-4,11,13H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyLQQJZFBYAOMOSD-HXUWFJFHSA-N
MW386.88 g/mol
LogP4.24
Rot. Bonds7

About N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 9178940) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
PubChem CID9178940
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide
SMILESCCCCOc1ccc(CN2C(=O)[C@H](NC(C)=O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C21H23ClN2O3/c1-3-4-11-27-17-8-5-15(6-9-17)13-24-19-10-7-16(22)12-18(19)20(21(24)26)23-14(2)25/h5-10,12,20H,3-4,11,13H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyLQQJZFBYAOMOSD-HXUWFJFHSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.24
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-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-[(3R)-5-chloro-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178993
N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178903
N-[(3S)-5-chloro-1-[2-(4-methylphenoxy)ethyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178957
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 9178851
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178730
N-[(3R)-5-chloro-1-(cyanomethyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178925
N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178813
N-[(3S)-1-[(4-hexoxyphenyl)methyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178621
N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178835
N-[(3S)-1-[(2,4-dichlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178417

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide (CID 9178940) is N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide is CCCCOc1ccc(CN2C(=O)[C@H](NC(C)=O)c3cc(Cl)ccc32)cc1.
What is the InChIKey of N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is LQQJZFBYAOMOSD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-3-4-11-27-17-8-5-15(6-9-17)13-24-19-10-7-16(22)12-18(19)20(21(24)26)23-14(2)25/h5-10,12,20H,3-4,11,13H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 386.88 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-butoxyphenyl)methyl]-5-chloro-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).