N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide

C21H21ClN2O3 — CID 95020536

IUPACN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C21H21ClN2O3/c22-16-6-5-15-10-21(26)24(19(15)11-16)13-14-3-7-17(8-4-14)23-20(25)12-18-2-1-9-27-18/h3-8,11,18H,1-2,9-10,12-13H2,(H,23,25)/t18-/m0/s1
InChIKeyODCFMHXPPMWIGY-SFHVURJKSA-N
MW384.86 g/mol
LogP3.94
Rot. Bonds5

About N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide

N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 95020536) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID95020536
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC NameN-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCO1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C21H21ClN2O3/c22-16-6-5-15-10-21(26)24(19(15)11-16)13-14-3-7-17(8-4-14)23-20(25)12-18-2-1-9-27-18/h3-8,11,18H,1-2,9-10,12-13H2,(H,23,25)/t18-/m0/s1
InChIKeyODCFMHXPPMWIGY-SFHVURJKSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide with MolForge

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Related Compounds

7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
CID 119756085
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
CID 106910580
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide
CID 110632886
1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide
CID 95100034
N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95774368
4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427432
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide (CID 95020536) is N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide is O=C(C[C@@H]1CCCO1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1.
What is the InChIKey of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is ODCFMHXPPMWIGY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c22-16-6-5-15-10-21(26)24(19(15)11-16)13-14-3-7-17(8-4-14)23-20(25)12-18-2-1-9-27-18/h3-8,11,18H,1-2,9-10,12-13H2,(H,23,25)/t18-/m0/s1.
What are the key properties of N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 384.86 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 95020536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).