5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide

C24H23BrN2O3 — CID 17350206

IUPAC5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23BrN2O3/c1-2-3-15-30-22-14-13-20(25)16-21(22)24(29)27-26-23(28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14,16H,2-3,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyBPEDGUTWIDPHRP-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.37
Rot. Bonds7

About 5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide

5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide (PubChem CID 17350206) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
PubChem CID17350206
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23BrN2O3/c1-2-3-15-30-22-14-13-20(25)16-21(22)24(29)27-26-23(28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14,16H,2-3,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyBPEDGUTWIDPHRP-UHFFFAOYSA-N
XLogP5.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-butoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 17350556
5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide
CID 17357345
N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17350275
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 17350254
5-bromo-2-hexoxy-N'-(3-methylbenzoyl)benzohydrazide
CID 17343478
4-[4-[2-[(5-bromo-2-butoxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 25271162
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 17350916

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide?
The IUPAC name of 5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide (CID 17350206) is 5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide is CCCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide?
The InChIKey is BPEDGUTWIDPHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-2-3-15-30-22-14-13-20(25)16-21(22)24(29)27-26-23(28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-14,16H,2-3,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide?
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide has a molecular weight of 467.36 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide is sourced from PubChem (CID 17350206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).