N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide

C16H16N4O — CID 62510979

IUPACN-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)Nc2cc(C#N)ccc2C)c1
InChIInChI=1S/C16H16N4O/c1-10-3-6-14(20-18)13(7-10)16(21)19-15-8-12(9-17)5-4-11(15)2/h3-8,20H,18H2,1-2H3,(H,19,21)
InChIKeyKXAVAEBHCJKBMW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds3

About N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide

N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide (PubChem CID 62510979) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
PubChem CID62510979
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)Nc2cc(C#N)ccc2C)c1
InChIInChI=1S/C16H16N4O/c1-10-3-6-14(20-18)13(7-10)16(21)19-15-8-12(9-17)5-4-11(15)2/h3-8,20H,18H2,1-2H3,(H,19,21)
InChIKeyKXAVAEBHCJKBMW-UHFFFAOYSA-N
XLogP2.71
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
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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Related Compounds

N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide
CID 78981326
2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
CID 106852116
2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
CID 114922463
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
2-hydrazinyl-N-(2-iodophenyl)-5-methylbenzamide
CID 62512985
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide (CID 62510979) is N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide is Cc1ccc(NN)c(C(=O)Nc2cc(C#N)ccc2C)c1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide?
The InChIKey is KXAVAEBHCJKBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-3-6-14(20-18)13(7-10)16(21)19-15-8-12(9-17)5-4-11(15)2/h3-8,20H,18H2,1-2H3,(H,19,21).
What are the key properties of N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide?
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 62510979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).