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

C21H18N2O2 — CID 828309

IUPAC3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H18N2O2/c1-15-6-5-9-19(14-15)21(25)23-22-20(24)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyXQQVKJYXEYTTFR-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.74
Rot. Bonds3

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

3-methyl-N'-(4-phenylbenzoyl)benzohydrazide (PubChem CID 828309) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-methyl-N'-(4-phenylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
PubChem CID828309
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H18N2O2/c1-15-6-5-9-19(14-15)21(25)23-22-20(24)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyXQQVKJYXEYTTFR-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
3-iodo-N'-(4-phenylbenzoyl)benzohydrazide
CID 1035001
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4952004
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
3-iodo-N'-(4-methylbenzoyl)benzohydrazide
CID 1127160
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(4-phenylbenzoyl)benzohydrazide?
The IUPAC name of 3-methyl-N'-(4-phenylbenzoyl)benzohydrazide (CID 828309) is 3-methyl-N'-(4-phenylbenzoyl)benzohydrazide.
What is the SMILES notation for 3-methyl-N'-(4-phenylbenzoyl)benzohydrazide?
The canonical SMILES for 3-methyl-N'-(4-phenylbenzoyl)benzohydrazide is Cc1cccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-methyl-N'-(4-phenylbenzoyl)benzohydrazide?
The InChIKey is XQQVKJYXEYTTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-15-6-5-9-19(14-15)21(25)23-22-20(24)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-methyl-N'-(4-phenylbenzoyl)benzohydrazide?
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide has a molecular weight of 330.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(4-phenylbenzoyl)benzohydrazide is sourced from PubChem (CID 828309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).