3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide

C18H18BrIN2O2 — CID 3399843

IUPAC3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br
InChIInChI=1S/C18H18BrIN2O2/c1-18(2,3)13-9-8-11(10-14(13)19)16(23)21-22-17(24)12-6-4-5-7-15(12)20/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyFHDWKSLTCCNYJU-UHFFFAOYSA-N
MW501.16 g/mol
LogP4.43
Rot. Bonds2

About 3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide

3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide (PubChem CID 3399843) has the molecular formula C18H18BrIN2O2 and a molecular weight of 501.16 g/mol. Its IUPAC name is 3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide
PubChem CID3399843
Molecular FormulaC18H18BrIN2O2
Molecular Weight501.16 g/mol
Exact Mass499.96
IUPAC Name3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br
InChIInChI=1S/C18H18BrIN2O2/c1-18(2,3)13-9-8-11(10-14(13)19)16(23)21-22-17(24)12-6-4-5-7-15(12)20/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyFHDWKSLTCCNYJU-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.16
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide
CID 4924985
3-bromo-N-[4-[(3-bromo-4-tert-butylbenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3950836
2-iodo-N'-(3-iodobenzoyl)benzohydrazide
CID 4236537
3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
CID 920964
3-bromo-4-tert-butyl-N-(3-cyanophenyl)benzamide
CID 1014173
N'-(2-bromobenzoyl)-2-tert-butylpyridine-4-carbohydrazide
CID 4731414
3-bromo-4-tert-butyl-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4502918
3-bromo-4-tert-butyl-N-heptylbenzamide
CID 3399174
3-bromo-4-tert-butyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 3401535
2-[[(2-iodobenzoyl)amino]carbamoyl]benzoate
CID 3622064
3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide
CID 17050926
N-[4-[[(2-iodobenzoyl)amino]carbamoyl]phenyl]butanamide
CID 1011744

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide?
The IUPAC name of 3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide (CID 3399843) is 3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide.
What is the SMILES notation for 3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide?
The canonical SMILES for 3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2I)cc1Br.
What is the InChIKey of 3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide?
The InChIKey is FHDWKSLTCCNYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrIN2O2/c1-18(2,3)13-9-8-11(10-14(13)19)16(23)21-22-17(24)12-6-4-5-7-15(12)20/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide?
3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide has a molecular weight of 501.16 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-tert-butyl-N'-(2-iodobenzoyl)benzohydrazide is sourced from PubChem (CID 3399843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).