N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide

C24H21ClN2O3 — CID 95095195

IUPACN-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
SMILESCc1cccc([C@@]2(O)C(=O)N(CC(=O)Nc3ccc(C)cc3Cl)c3ccccc32)c1
InChIInChI=1S/C24H21ClN2O3/c1-15-6-5-7-17(12-15)24(30)18-8-3-4-9-21(18)27(23(24)29)14-22(28)26-20-11-10-16(2)13-19(20)25/h3-13,30H,14H2,1-2H3,(H,26,28)/t24-/m0/s1
InChIKeySNNNIPLVUZJTED-DEOSSOPVSA-N
MW420.90 g/mol
LogP4.18
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide

N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide (PubChem CID 95095195) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
PubChem CID95095195
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
SMILESCc1cccc([C@@]2(O)C(=O)N(CC(=O)Nc3ccc(C)cc3Cl)c3ccccc32)c1
InChIInChI=1S/C24H21ClN2O3/c1-15-6-5-7-17(12-15)24(30)18-8-3-4-9-21(18)27(23(24)29)14-22(28)26-20-11-10-16(2)13-19(20)25/h3-13,30H,14H2,1-2H3,(H,26,28)/t24-/m0/s1
InChIKeySNNNIPLVUZJTED-DEOSSOPVSA-N
XLogP4.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 95095431
N-(2,4-dimethylphenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095499
2-[(3S)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylphenyl)acetamide
CID 95095451
2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53144104
N-(4-chloro-2-fluorophenyl)-2-[3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]acetamide
CID 53144210
N-(3,4-dimethoxyphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095174
2-[(3R)-3-(3-chlorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 95095424
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 95095250
2-[(3R)-3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 95095302
N-(2-fluorophenyl)-2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 53144139
N-(3-chloro-2-methylphenyl)-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 53025402
N-(3-chlorophenyl)-2-[(3S)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095558

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide (CID 95095195) is N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide is Cc1cccc([C@@]2(O)C(=O)N(CC(=O)Nc3ccc(C)cc3Cl)c3ccccc32)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide?
The InChIKey is SNNNIPLVUZJTED-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-15-6-5-7-17(12-15)24(30)18-8-3-4-9-21(18)27(23(24)29)14-22(28)26-20-11-10-16(2)13-19(20)25/h3-13,30H,14H2,1-2H3,(H,26,28)/t24-/m0/s1.
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide has a molecular weight of 420.90 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[(3S)-3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 95095195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).