5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide

C23H21BrN2O4 — CID 17357345

IUPAC5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide
SMILESCOCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21BrN2O4/c1-29-13-14-30-21-12-11-19(24)15-20(21)23(28)26-25-22(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyWFWOAMAWKMOTEN-UHFFFAOYSA-N
MW469.34 g/mol
LogP4.22
Rot. Bonds7

About 5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide

5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide (PubChem CID 17357345) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide
PubChem CID17357345
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC Name5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide
SMILESCOCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21BrN2O4/c1-29-13-14-30-21-12-11-19(24)15-20(21)23(28)26-25-22(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyWFWOAMAWKMOTEN-UHFFFAOYSA-N
XLogP4.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206
5-bromo-2-butoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 17350556
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
N'-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-iodo-4-methoxybenzohydrazide
CID 17357364
N-[4-[[(5-bromo-2-butoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17350275
5-bromo-2-methoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 17094619
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17357411
5-bromo-2-(2-methylpropoxy)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 17051291
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
5-bromo-2-(3-methylbutoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 17350916
5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
CID 17046444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide?
The IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide (CID 17357345) is 5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide is COCCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide?
The InChIKey is WFWOAMAWKMOTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O4/c1-29-13-14-30-21-12-11-19(24)15-20(21)23(28)26-25-22(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide?
5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide has a molecular weight of 469.34 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethoxy)-N'-(4-phenylbenzoyl)benzohydrazide is sourced from PubChem (CID 17357345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).