(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide

C22H17ClN2O3 — CID 96565097

IUPAC(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
SMILESO=C(Nc1cc(Cl)ccc1O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C22H17ClN2O3/c23-16-10-11-19(26)18(12-16)24-21(27)20(14-6-2-1-3-7-14)25-13-15-8-4-5-9-17(15)22(25)28/h1-12,20,26H,13H2,(H,24,27)/t20-/m1/s1
InChIKeyIDWIZXOTFSIUII-HXUWFJFHSA-N
MW392.84 g/mol
LogP4.38
Rot. Bonds4

About (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide

(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide (PubChem CID 96565097) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
PubChem CID96565097
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
SMILESO=C(Nc1cc(Cl)ccc1O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C22H17ClN2O3/c23-16-10-11-19(26)18(12-16)24-21(27)20(14-6-2-1-3-7-14)25-13-15-8-4-5-9-17(15)22(25)28/h1-12,20,26H,13H2,(H,24,27)/t20-/m1/s1
InChIKeyIDWIZXOTFSIUII-HXUWFJFHSA-N
XLogP4.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2,5-dichlorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 92688450
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 97263101
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 935641
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
diethyl 5-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]benzene-1,3-dicarboxylate
CID 20862751
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 91638506
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
CID 108867456
2-(5-chloro-2-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)acetic acid
CID 146381555
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate
CID 92688363
2-(8-chloro-2,5-dioxo-1,3-dihydro-1,4-benzodiazepin-4-yl)-N-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-phenylacetamide
CID 122376550

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide (CID 96565097) is (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide is O=C(Nc1cc(Cl)ccc1O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The InChIKey is IDWIZXOTFSIUII-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-16-10-11-19(26)18(12-16)24-21(27)20(14-6-2-1-3-7-14)25-13-15-8-4-5-9-17(15)22(25)28/h1-12,20,26H,13H2,(H,24,27)/t20-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide has a molecular weight of 392.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 96565097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).