N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide

C18H16N2O4 — CID 95278271

IUPACN-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C18H16N2O4/c1-11(21)19-14-8-4-2-6-12(14)16(22)10-18(24)13-7-3-5-9-15(13)20-17(18)23/h2-9,24H,10H2,1H3,(H,19,21)(H,20,23)/t18-/m0/s1
InChIKeyDQURZJDDDUSOKF-SFHVURJKSA-N
MW324.34 g/mol
LogP2.06
Rot. Bonds4

About N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide

N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide (PubChem CID 95278271) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide
PubChem CID95278271
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C18H16N2O4/c1-11(21)19-14-8-4-2-6-12(14)16(22)10-18(24)13-7-3-5-9-15(13)20-17(18)23/h2-9,24H,10H2,1H3,(H,19,21)(H,20,23)/t18-/m0/s1
InChIKeyDQURZJDDDUSOKF-SFHVURJKSA-N
XLogP2.06
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
CID 696392
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
CID 3838372
(3R)-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39890045
N-[2-[2-[(3S)-5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 40840243
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2255217
(3R)-3-hydroxy-3-[(E)-2-hydroxy-4-oxopent-2-enyl]-1H-indol-2-one
CID 177471424
3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 46360620
N-[4-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 1091973
[(Z)-1-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propan-2-ylideneamino]urea
CID 30224379
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2059550
2-bromo-N-[1-(3-hydroxy-2-oxo-1H-indol-3-yl)propan-2-ylideneamino]benzamide
CID 3098514

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide?
The IUPAC name of N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide (CID 95278271) is N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide is CC(=O)Nc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21.
What is the InChIKey of N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide?
The InChIKey is DQURZJDDDUSOKF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(21)19-14-8-4-2-6-12(14)16(22)10-18(24)13-7-3-5-9-15(13)20-17(18)23/h2-9,24H,10H2,1H3,(H,19,21)(H,20,23)/t18-/m0/s1.
What are the key properties of N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide?
N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]acetamide is sourced from PubChem (CID 95278271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).