N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide

C23H19BrN2O3 — CID 2439814

IUPACN'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide
SMILESCc1ccc(C)c(C(=O)c2ccccc2C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C23H19BrN2O3/c1-14-11-12-15(2)19(13-14)21(27)16-7-3-4-8-17(16)22(28)25-26-23(29)18-9-5-6-10-20(18)24/h3-13H,1-2H3,(H,25,28)(H,26,29)
InChIKeyFCOSUHKFOAAWKA-UHFFFAOYSA-N
MW451.32 g/mol
LogP4.37
Rot. Bonds4

About N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide

N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide (PubChem CID 2439814) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide
PubChem CID2439814
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC NameN'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide
SMILESCc1ccc(C)c(C(=O)c2ccccc2C(=O)NNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C23H19BrN2O3/c1-14-11-12-15(2)19(13-14)21(27)16-7-3-4-8-17(16)22(28)25-26-23(29)18-9-5-6-10-20(18)24/h3-13H,1-2H3,(H,25,28)(H,26,29)
InChIKeyFCOSUHKFOAAWKA-UHFFFAOYSA-N
XLogP4.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromobenzoyl)amino]-3-(2,4-dimethylphenyl)thiourea
CID 3280460
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide
CID 110886651
N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide
CID 4924985
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
CID 115784127
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 39975858
2,4-dibromo-N'-(2-methylbenzoyl)benzohydrazide
CID 19167014
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide
CID 113230260
2-(2,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829826
3-bromo-4-methyl-N'-(2-methylbenzoyl)benzohydrazide
CID 920964

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide (CID 2439814) is N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide is Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NNC(=O)c2ccccc2Br)c1.
What is the InChIKey of N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide?
The InChIKey is FCOSUHKFOAAWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c1-14-11-12-15(2)19(13-14)21(27)16-7-3-4-8-17(16)22(28)25-26-23(29)18-9-5-6-10-20(18)24/h3-13H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide?
N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide has a molecular weight of 451.32 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide is sourced from PubChem (CID 2439814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).