4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide

C28H22N4O5 — CID 21231530

IUPAC4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C28H22N4O5/c33-25(19-7-3-1-4-8-19)29-31-27(35)21-11-15-23(16-12-21)37-24-17-13-22(14-18-24)28(36)32-30-26(34)20-9-5-2-6-10-20/h1-18H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKeyXBYNBOJAMOQNMN-UHFFFAOYSA-N
MW494.51 g/mol
LogP3.63
Rot. Bonds6

About 4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide

4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide (PubChem CID 21231530) has the molecular formula C28H22N4O5 and a molecular weight of 494.51 g/mol. Its IUPAC name is 4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide.

Molecular Properties

Compound Name4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
PubChem CID21231530
Molecular FormulaC28H22N4O5
Molecular Weight494.51 g/mol
Exact Mass494.16
IUPAC Name4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C28H22N4O5/c33-25(19-7-3-1-4-8-19)29-31-27(35)21-11-15-23(16-12-21)37-24-17-13-22(14-18-24)28(36)32-30-26(34)20-9-5-2-6-10-20/h1-18H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKeyXBYNBOJAMOQNMN-UHFFFAOYSA-N
XLogP3.63
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
N'-[2-(4-chlorophenyl)acetyl]-4-phenoxybenzohydrazide
CID 31727117
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
4-phenoxybenzoyl bromide
CID 116924551
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
1-(4-chlorophenyl)-3-[(4-phenoxybenzoyl)amino]thiourea
CID 9469078
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111
4-phenoxybenzoic acid;hydrochloride
CID 70385625
3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11349148
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide?
The IUPAC name of 4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide (CID 21231530) is 4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide.
What is the SMILES notation for 4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide?
The canonical SMILES for 4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide is O=C(NNC(=O)c1ccc(Oc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide?
The InChIKey is XBYNBOJAMOQNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O5/c33-25(19-7-3-1-4-8-19)29-31-27(35)21-11-15-23(16-12-21)37-24-17-13-22(14-18-24)28(36)32-30-26(34)20-9-5-2-6-10-20/h1-18H,(H,29,33)(H,30,34)(H,31,35)(H,32,36).
What are the key properties of 4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide?
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide has a molecular weight of 494.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide is sourced from PubChem (CID 21231530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).