N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide

C16H20N4O — CID 106760779

IUPACN-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)Nc2ccccc2N(C)C)c1
InChIInChI=1S/C16H20N4O/c1-11-8-9-13(19-17)12(10-11)16(21)18-14-6-4-5-7-15(14)20(2)3/h4-10,19H,17H2,1-3H3,(H,18,21)
InChIKeyCNYZUWRDFCJRDZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.60
Rot. Bonds4

About N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide

N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide (PubChem CID 106760779) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide
PubChem CID106760779
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)Nc2ccccc2N(C)C)c1
InChIInChI=1S/C16H20N4O/c1-11-8-9-13(19-17)12(10-11)16(21)18-14-6-4-5-7-15(14)20(2)3/h4-10,19H,17H2,1-3H3,(H,18,21)
InChIKeyCNYZUWRDFCJRDZ-UHFFFAOYSA-N
XLogP2.60
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide (CID 106760779) is N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide is Cc1ccc(NN)c(C(=O)Nc2ccccc2N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide?
The InChIKey is CNYZUWRDFCJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-8-9-13(19-17)12(10-11)16(21)18-14-6-4-5-7-15(14)20(2)3/h4-10,19H,17H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide?
N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 106760779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).