N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide

C18H13BrClN3O4 — CID 27605076

IUPACN'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide
SMILESO=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H13BrClN3O4/c19-11-4-5-13-14(9-11)18(27)23(17(13)26)7-6-15(24)21-22-16(25)10-2-1-3-12(20)8-10/h1-5,8-9H,6-7H2,(H,21,24)(H,22,25)
InChIKeyCEVGIIARBKXFDU-UHFFFAOYSA-N
MW450.68 g/mol
LogP2.55
Rot. Bonds4

About N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide

N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide (PubChem CID 27605076) has the molecular formula C18H13BrClN3O4 and a molecular weight of 450.68 g/mol. Its IUPAC name is N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide
PubChem CID27605076
Molecular FormulaC18H13BrClN3O4
Molecular Weight450.68 g/mol
Exact Mass448.98
IUPAC NameN'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide
SMILESO=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H13BrClN3O4/c19-11-4-5-13-14(9-11)18(27)23(17(13)26)7-6-15(24)21-22-16(25)10-2-1-3-12(20)8-10/h1-5,8-9H,6-7H2,(H,21,24)(H,22,25)
InChIKeyCEVGIIARBKXFDU-UHFFFAOYSA-N
XLogP2.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.68
LogP ≤ 52.55
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'}

Analyze N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 30428123
2,4-dichloro-N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 1283831
N'-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoyl]-4-ethoxybenzohydrazide
CID 30436437
N'-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 17360257
N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide
CID 30426434
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
CID 2672371
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-methylcyclobutyl)propanamide
CID 71909809
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide
CID 78803344
4-bromo-N'-[3-(3-chlorophenyl)propanoyl]benzohydrazide
CID 78829690
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 30442450
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-chloro-2-methylphenyl)butanamide
CID 30427994
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N,N-diethylpropanamide
CID 78803351

Frequently Asked Questions

What is the IUPAC name of N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide (CID 27605076) is N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide is O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide?
The InChIKey is CEVGIIARBKXFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O4/c19-11-4-5-13-14(9-11)18(27)23(17(13)26)7-6-15(24)21-22-16(25)10-2-1-3-12(20)8-10/h1-5,8-9H,6-7H2,(H,21,24)(H,22,25).
What are the key properties of N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide?
N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide has a molecular weight of 450.68 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoyl]-3-chlorobenzohydrazide is sourced from PubChem (CID 27605076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).