(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C17H13ClN2O4 — CID 935641

IUPAC(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13ClN2O4/c1-9(15(22)19-13-8-10(18)6-7-14(13)21)20-16(23)11-4-2-3-5-12(11)17(20)24/h2-9,21H,1H3,(H,19,22)/t9-/m1/s1
InChIKeyZNHWGANOJTUEQD-SECBINFHSA-N
MW344.75 g/mol
LogP2.67
Rot. Bonds3

About (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 935641) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID935641
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H13ClN2O4/c1-9(15(22)19-13-8-10(18)6-7-14(13)21)20-16(23)11-4-2-3-5-12(11)17(20)24/h2-9,21H,1H3,(H,19,22)/t9-/m1/s1
InChIKeyZNHWGANOJTUEQD-SECBINFHSA-N
XLogP2.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597285
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 8760285
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2238586
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050
(2S)-N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 9255789
N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 46696526
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7788336

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 935641) is (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is C[C@H](C(=O)Nc1cc(Cl)ccc1O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is ZNHWGANOJTUEQD-SECBINFHSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-9(15(22)19-13-8-10(18)6-7-14(13)21)20-16(23)11-4-2-3-5-12(11)17(20)24/h2-9,21H,1H3,(H,19,22)/t9-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 344.75 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 935641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).