4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide

C16H19BrN2O — CID 2376438

IUPAC4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide
SMILESCC1=CC(NNC(=O)c2ccc(Br)cc2)=CC(C)(C)C1
InChIInChI=1S/C16H19BrN2O/c1-11-8-14(10-16(2,3)9-11)18-19-15(20)12-4-6-13(17)7-5-12/h4-8,10,18H,9H2,1-3H3,(H,19,20)
InChIKeyRLPCEGIFRSHSBS-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.94
Rot. Bonds3

About 4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide

4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide (PubChem CID 2376438) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide
PubChem CID2376438
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide
SMILESCC1=CC(NNC(=O)c2ccc(Br)cc2)=CC(C)(C)C1
InChIInChI=1S/C16H19BrN2O/c1-11-8-14(10-16(2,3)9-11)18-19-15(20)12-4-6-13(17)7-5-12/h4-8,10,18H,9H2,1-3H3,(H,19,20)
InChIKeyRLPCEGIFRSHSBS-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
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methyl N-[(4-bromobenzoyl)amino]carbamate
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N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
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4-bromo-N'-[2-(1-hydroxycyclopentyl)acetyl]benzohydrazide
CID 111536284
4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide
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4-bromo-N'-[(1R,2R)-2-methylcyclopropanecarbonyl]benzohydrazide
CID 27663275
4-bromo-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 26951559
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CID 6920694

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide?
The IUPAC name of 4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide (CID 2376438) is 4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide.
What is the SMILES notation for 4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide?
The canonical SMILES for 4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide is CC1=CC(NNC(=O)c2ccc(Br)cc2)=CC(C)(C)C1.
What is the InChIKey of 4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide?
The InChIKey is RLPCEGIFRSHSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-8-14(10-16(2,3)9-11)18-19-15(20)12-4-6-13(17)7-5-12/h4-8,10,18H,9H2,1-3H3,(H,19,20).
What are the key properties of 4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide?
4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide has a molecular weight of 335.25 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide is sourced from PubChem (CID 2376438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).