2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide

C19H21BrN2O3 — CID 3080423

IUPAC2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide
SMILESCc1cccc(C(O)(C(=O)NNC(=O)C(C)Br)c2cccc(C)c2)c1
InChIInChI=1S/C19H21BrN2O3/c1-12-6-4-8-15(10-12)19(25,16-9-5-7-13(2)11-16)18(24)22-21-17(23)14(3)20/h4-11,14,25H,1-3H3,(H,21,23)(H,22,24)
InChIKeyPRMDQSUXURFIHT-UHFFFAOYSA-N
MW405.29 g/mol
LogP2.47
Rot. Bonds4

About 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide

2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide (PubChem CID 3080423) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide
PubChem CID3080423
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide
SMILESCc1cccc(C(O)(C(=O)NNC(=O)C(C)Br)c2cccc(C)c2)c1
InChIInChI=1S/C19H21BrN2O3/c1-12-6-4-8-15(10-12)19(25,16-9-5-7-13(2)11-16)18(24)22-21-17(23)14(3)20/h4-11,14,25H,1-3H3,(H,21,23)(H,22,24)
InChIKeyPRMDQSUXURFIHT-UHFFFAOYSA-N
XLogP2.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide?
The IUPAC name of 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide (CID 3080423) is 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide.
What is the SMILES notation for 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide?
The canonical SMILES for 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide is Cc1cccc(C(O)(C(=O)NNC(=O)C(C)Br)c2cccc(C)c2)c1.
What is the InChIKey of 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide?
The InChIKey is PRMDQSUXURFIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-12-6-4-8-15(10-12)19(25,16-9-5-7-13(2)11-16)18(24)22-21-17(23)14(3)20/h4-11,14,25H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide?
2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide has a molecular weight of 405.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[2-hydroxy-2,2-bis(3-methylphenyl)acetyl]propanehydrazide is sourced from PubChem (CID 3080423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).