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

C21H16BrIN2O3 — CID 4960754

IUPACN'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccccc1I
InChIInChI=1S/C21H16BrIN2O3/c22-17-12-15(14-6-2-1-3-7-14)10-11-19(17)28-13-20(26)24-25-21(27)16-8-4-5-9-18(16)23/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyDFHJJBQLPBUKJY-UHFFFAOYSA-N
MW551.18 g/mol
LogP4.56
Rot. Bonds5

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

N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide (PubChem CID 4960754) has the molecular formula C21H16BrIN2O3 and a molecular weight of 551.18 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide
PubChem CID4960754
Molecular FormulaC21H16BrIN2O3
Molecular Weight551.18 g/mol
Exact Mass549.94
IUPAC NameN'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccccc1I
InChIInChI=1S/C21H16BrIN2O3/c22-17-12-15(14-6-2-1-3-7-14)10-11-19(17)28-13-20(26)24-25-21(27)16-8-4-5-9-18(16)23/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyDFHJJBQLPBUKJY-UHFFFAOYSA-N
XLogP4.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.18
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-bromo-4-phenylphenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4960851
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4960799
N-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioyl]-2-iodobenzamide
CID 3528834
2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide
CID 4960831
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-phenylbenzohydrazide
CID 4922284
N-benzyl-4-[2-[2-(2-bromo-4-phenylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 4960797
N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide
CID 55334001
N-[4-[[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4960820
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(4-phenylphenoxy)acetohydrazide
CID 2210119
2-(2-bromo-4-phenylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 4960710
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide (CID 4960754) is N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide is O=C(COc1ccc(-c2ccccc2)cc1Br)NNC(=O)c1ccccc1I.
What is the InChIKey of N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide?
The InChIKey is DFHJJBQLPBUKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrIN2O3/c22-17-12-15(14-6-2-1-3-7-14)10-11-19(17)28-13-20(26)24-25-21(27)16-8-4-5-9-18(16)23/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide?
N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide has a molecular weight of 551.18 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-phenylphenoxy)acetyl]-2-iodobenzohydrazide is sourced from PubChem (CID 4960754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).