5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide

C16H18ClN3O — CID 62236200

IUPAC5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Cl)ccc2NN)cc1
InChIInChI=1S/C16H18ClN3O/c1-11-3-5-12(6-4-11)10-20(2)16(21)14-9-13(17)7-8-15(14)19-18/h3-9,19H,10,18H2,1-2H3
InChIKeyVQUUOGYMTRTFJF-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.21
Rot. Bonds4

About 5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide

5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 62236200) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide
PubChem CID62236200
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Cl)ccc2NN)cc1
InChIInChI=1S/C16H18ClN3O/c1-11-3-5-12(6-4-11)10-20(2)16(21)14-9-13(17)7-8-15(14)19-18/h3-9,19H,10,18H2,1-2H3
InChIKeyVQUUOGYMTRTFJF-UHFFFAOYSA-N
XLogP3.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62171405
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
5-chloro-2-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64519313
5-chloro-N-(2-cyanoethyl)-2-hydrazinyl-N-methylbenzamide
CID 62238401
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-N,5-dimethylbenzamide
CID 63726038
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81239957
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
5-chloro-N-cyclopropyl-2-hydrazinyl-N-methylbenzamide
CID 62243364
2-amino-N-[(4-bromophenyl)methyl]-4-chloro-N-methylbenzamide
CID 61118172

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide (CID 62236200) is 5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2cc(Cl)ccc2NN)cc1.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is VQUUOGYMTRTFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-3-5-12(6-4-11)10-20(2)16(21)14-9-13(17)7-8-15(14)19-18/h3-9,19H,10,18H2,1-2H3.
What are the key properties of 5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide?
5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 62236200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).