N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide

C16H17N3O2 — CID 100591745

IUPACN-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CC(=O)NN)cc2)cc1
InChIInChI=1S/C16H17N3O2/c1-11-2-6-13(7-3-11)16(21)18-14-8-4-12(5-9-14)10-15(20)19-17/h2-9H,10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyXSSSCIMYFPDGLS-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.78
Rot. Bonds4

About N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide

N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide (PubChem CID 100591745) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
PubChem CID100591745
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CC(=O)NN)cc2)cc1
InChIInChI=1S/C16H17N3O2/c1-11-2-6-13(7-3-11)16(21)18-14-8-4-12(5-9-14)10-15(20)19-17/h2-9H,10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyXSSSCIMYFPDGLS-UHFFFAOYSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 58899047
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide (CID 100591745) is N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(CC(=O)NN)cc2)cc1.
What is the InChIKey of N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide?
The InChIKey is XSSSCIMYFPDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-2-6-13(7-3-11)16(21)18-14-8-4-12(5-9-14)10-15(20)19-17/h2-9H,10,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide?
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide has a molecular weight of 283.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 100591745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).