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

C18H13Cl2N3O4 — CID 1283831

IUPAC2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2N3O4/c19-10-5-6-13(14(20)9-10)16(25)22-21-15(24)7-8-23-17(26)11-3-1-2-4-12(11)18(23)27/h1-6,9H,7-8H2,(H,21,24)(H,22,25)
InChIKeyKZVWVTUKJMAEAG-UHFFFAOYSA-N
MW406.23 g/mol
LogP2.44
Rot. Bonds4

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

2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide (PubChem CID 1283831) has the molecular formula C18H13Cl2N3O4 and a molecular weight of 406.23 g/mol. Its IUPAC name is 2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
PubChem CID1283831
Molecular FormulaC18H13Cl2N3O4
Molecular Weight406.23 g/mol
Exact Mass405.03
IUPAC Name2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2N3O4/c19-10-5-6-13(14(20)9-10)16(25)22-21-15(24)7-8-23-17(26)11-3-1-2-4-12(11)18(23)27/h1-6,9H,7-8H2,(H,21,24)(H,22,25)
InChIKeyKZVWVTUKJMAEAG-UHFFFAOYSA-N
XLogP2.44
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.44
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

4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3140696
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
CID 2672371
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide
CID 27605076
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2707328
N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
2,4-dichloro-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163582
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 884604
5-chloro-N'-[2-(1,3-dioxo-4H-isoquinolin-2-yl)acetyl]-2-methoxybenzohydrazide
CID 9278553
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 3913836

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide (CID 1283831) is 2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide is O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
The InChIKey is KZVWVTUKJMAEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O4/c19-10-5-6-13(14(20)9-10)16(25)22-21-15(24)7-8-23-17(26)11-3-1-2-4-12(11)18(23)27/h1-6,9H,7-8H2,(H,21,24)(H,22,25).
What are the key properties of 2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide has a molecular weight of 406.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 1283831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).