5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide

C15H11BrClIN2O2 — CID 34574883

IUPAC5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C15H11BrClIN2O2/c16-10-3-6-13(18)12(8-10)15(22)20-19-14(21)7-9-1-4-11(17)5-2-9/h1-6,8H,7H2,(H,19,21)(H,20,22)
InChIKeyQOCOJUCNUAYYKC-UHFFFAOYSA-N
MW493.53 g/mol
LogP3.71
Rot. Bonds3

About 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide

5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide (PubChem CID 34574883) has the molecular formula C15H11BrClIN2O2 and a molecular weight of 493.53 g/mol. Its IUPAC name is 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide
PubChem CID34574883
Molecular FormulaC15H11BrClIN2O2
Molecular Weight493.53 g/mol
Exact Mass491.87
IUPAC Name5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C15H11BrClIN2O2/c16-10-3-6-13(18)12(8-10)15(22)20-19-14(21)7-9-1-4-11(17)5-2-9/h1-6,8H,7H2,(H,19,21)(H,20,22)
InChIKeyQOCOJUCNUAYYKC-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 53.71
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

5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051761
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 34574346
5-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-ethoxybenzamide
CID 17353410
1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone
CID 82703999
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936804
N'-(2-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
N-(4-bromo-2-chlorophenyl)-2-(4-chlorophenyl)acetamide
CID 1310243
(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone
CID 114032403
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
5-chloro-2-iodo-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 78873426

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide?
The IUPAC name of 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide (CID 34574883) is 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide?
The InChIKey is QOCOJUCNUAYYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClIN2O2/c16-10-3-6-13(18)12(8-10)15(22)20-19-14(21)7-9-1-4-11(17)5-2-9/h1-6,8H,7H2,(H,19,21)(H,20,22).
What are the key properties of 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide?
5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide has a molecular weight of 493.53 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(4-chlorophenyl)acetyl]-2-iodobenzohydrazide is sourced from PubChem (CID 34574883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).