4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide

C24H26ClN3O3 — CID 1480143

IUPAC4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide
SMILESO=C(NNC(=O)[C@@H](CC1CCCCC1)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O3/c25-19-12-10-17(11-13-19)22(29)26-27-23(30)21(14-16-6-2-1-3-7-16)28-15-18-8-4-5-9-20(18)24(28)31/h4-5,8-13,16,21H,1-3,6-7,14-15H2,(H,26,29)(H,27,30)/t21-/m1/s1
InChIKeyTWMIBIALAUCFRL-OAQYLSRUSA-N
MW439.94 g/mol
LogP4.10
Rot. Bonds5

About 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide

4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide (PubChem CID 1480143) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide
PubChem CID1480143
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide
SMILESO=C(NNC(=O)[C@@H](CC1CCCCC1)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O3/c25-19-12-10-17(11-13-19)22(29)26-27-23(30)21(14-16-6-2-1-3-7-16)28-15-18-8-4-5-9-20(18)24(28)31/h4-5,8-13,16,21H,1-3,6-7,14-15H2,(H,26,29)(H,27,30)/t21-/m1/s1
InChIKeyTWMIBIALAUCFRL-OAQYLSRUSA-N
XLogP4.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide with MolForge

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Related Compounds

(2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
CID 70674450
methyl (2S)-3-cyclohexyl-2-(7-fluoro-3-oxo-1H-isoindol-2-yl)propanoate
CID 70945620
(2S)-N-cyclohexyl-4-methylsulfonyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 20862871
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905716
4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide
CID 58707854
N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide
CID 59122121
(2R)-N-(3,5-dichlorophenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 40559094
3-cyclohexyl-2-(5-nitro-3-oxo-1H-isoindol-2-yl)propanoic acid
CID 18402173
N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(5-nitro-3-oxo-1H-isoindol-2-yl)propanamide
CID 18402205
2-[2-(4-chlorophenyl)-2-oxoethyl]-3H-isoindol-1-one
CID 62023062
2-[1-(4-chlorophenyl)ethyl]-3H-isoindol-1-one
CID 67252332
2-[[(2S)-3-cyclohexyl-2-(5,6-dichloro-3-oxo-1H-isoindol-2-yl)propanoyl]amino]-1,3-thiazole-5-carboxylic acid
CID 71540265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide (CID 1480143) is 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide is O=C(NNC(=O)[C@@H](CC1CCCCC1)N1Cc2ccccc2C1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide?
The InChIKey is TWMIBIALAUCFRL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c25-19-12-10-17(11-13-19)22(29)26-27-23(30)21(14-16-6-2-1-3-7-16)28-15-18-8-4-5-9-20(18)24(28)31/h4-5,8-13,16,21H,1-3,6-7,14-15H2,(H,26,29)(H,27,30)/t21-/m1/s1.
What are the key properties of 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide?
4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide has a molecular weight of 439.94 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[(2R)-3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 1480143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).