4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide

C17H16BrN3O4 — CID 7535151

IUPAC4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccc1O
InChIInChI=1S/C17H16BrN3O4/c18-12-7-5-11(6-8-12)16(24)19-10-9-15(23)20-21-17(25)13-3-1-2-4-14(13)22/h1-8,22H,9-10H2,(H,19,24)(H,20,23)(H,21,25)
InChIKeyYJYBSBKOCUMBIB-UHFFFAOYSA-N
MW406.24 g/mol
LogP1.74
Rot. Bonds5

About 4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide

4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 7535151) has the molecular formula C17H16BrN3O4 and a molecular weight of 406.24 g/mol. Its IUPAC name is 4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID7535151
Molecular FormulaC17H16BrN3O4
Molecular Weight406.24 g/mol
Exact Mass405.03
IUPAC Name4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccc1O
InChIInChI=1S/C17H16BrN3O4/c18-12-7-5-11(6-8-12)16(24)19-10-9-15(23)20-21-17(25)13-3-1-2-4-14(13)22/h1-8,22H,9-10H2,(H,19,24)(H,20,23)(H,21,25)
InChIKeyYJYBSBKOCUMBIB-UHFFFAOYSA-N
XLogP1.74
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide (CID 7535151) is 4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccc1O.
What is the InChIKey of 4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is YJYBSBKOCUMBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4/c18-12-7-5-11(6-8-12)16(24)19-10-9-15(23)20-21-17(25)13-3-1-2-4-14(13)22/h1-8,22H,9-10H2,(H,19,24)(H,20,23)(H,21,25).
What are the key properties of 4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 406.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 7535151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).