3-iodo-N'-(4-phenylbenzoyl)benzohydrazide

C20H15IN2O2 — CID 1035001

IUPAC3-iodo-N'-(4-phenylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(I)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15IN2O2/c21-18-8-4-7-17(13-18)20(25)23-22-19(24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,22,24)(H,23,25)
InChIKeyMDOGZOSWZWVOAL-UHFFFAOYSA-N
MW442.26 g/mol
LogP4.03
Rot. Bonds3

About 3-iodo-N'-(4-phenylbenzoyl)benzohydrazide

3-iodo-N'-(4-phenylbenzoyl)benzohydrazide (PubChem CID 1035001) has the molecular formula C20H15IN2O2 and a molecular weight of 442.26 g/mol. Its IUPAC name is 3-iodo-N'-(4-phenylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-iodo-N'-(4-phenylbenzoyl)benzohydrazide
PubChem CID1035001
Molecular FormulaC20H15IN2O2
Molecular Weight442.26 g/mol
Exact Mass442.02
IUPAC Name3-iodo-N'-(4-phenylbenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(I)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15IN2O2/c21-18-8-4-7-17(13-18)20(25)23-22-19(24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,22,24)(H,23,25)
InChIKeyMDOGZOSWZWVOAL-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.26
LogP ≤ 54.03
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

3-iodo-N'-(4-methylbenzoyl)benzohydrazide
CID 1127160
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
N'-(3-iodobenzoyl)pyridine-4-carbohydrazide
CID 3280219
2-iodo-N'-(3-iodobenzoyl)benzohydrazide
CID 4236537
2-[[(3-iodobenzoyl)amino]carbamoyl]benzoate
CID 6972064
N'-methyl-3-phenylbenzohydrazide
CID 142295291
N'-(3-iodobenzoyl)-2-nitrobenzohydrazide
CID 3544369
1-(3-iodophenyl)-2-[4-[2-(3-iodophenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione
CID 2850310
1-phenyl-3-[(4-phenylbenzoyl)amino]urea
CID 819364
N'-(4-phenylbenzoyl)naphthalene-1-carbohydrazide
CID 3127351
N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 2715629
N'-[2-(3-hydroxyphenyl)acetyl]-3-iodobenzohydrazide
CID 149266850

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N'-(4-phenylbenzoyl)benzohydrazide?
The IUPAC name of 3-iodo-N'-(4-phenylbenzoyl)benzohydrazide (CID 1035001) is 3-iodo-N'-(4-phenylbenzoyl)benzohydrazide.
What is the SMILES notation for 3-iodo-N'-(4-phenylbenzoyl)benzohydrazide?
The canonical SMILES for 3-iodo-N'-(4-phenylbenzoyl)benzohydrazide is O=C(NNC(=O)c1cccc(I)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-iodo-N'-(4-phenylbenzoyl)benzohydrazide?
The InChIKey is MDOGZOSWZWVOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15IN2O2/c21-18-8-4-7-17(13-18)20(25)23-22-19(24)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,22,24)(H,23,25).
What are the key properties of 3-iodo-N'-(4-phenylbenzoyl)benzohydrazide?
3-iodo-N'-(4-phenylbenzoyl)benzohydrazide has a molecular weight of 442.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N'-(4-phenylbenzoyl)benzohydrazide is sourced from PubChem (CID 1035001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).