N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide

C19H17N3O4 — CID 2672371

IUPACN'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-12-6-8-13(9-7-12)17(24)21-20-16(23)10-11-22-18(25)14-4-2-3-5-15(14)19(22)26/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyUXFCHLUJMVCIJG-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.44
Rot. Bonds4

About N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide

N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide (PubChem CID 2672371) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
PubChem CID2672371
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-12-6-8-13(9-7-12)17(24)21-20-16(23)10-11-22-18(25)14-4-2-3-5-15(14)19(22)26/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyUXFCHLUJMVCIJG-UHFFFAOYSA-N
XLogP1.44
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide
CID 8915094
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide
CID 2598564
3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 34250803
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418418
N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 17360257
4-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamoyl]benzoic acid
CID 21108836
N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide
CID 8879643
N'-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoyl]-4-ethoxybenzohydrazide
CID 9327673
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 1283831

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide (CID 2672371) is N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide?
The InChIKey is UXFCHLUJMVCIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-6-8-13(9-7-12)17(24)21-20-16(23)10-11-22-18(25)14-4-2-3-5-15(14)19(22)26/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide?
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide has a molecular weight of 351.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 2672371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).