N-(4-cyanophenyl)-4-hydrazinylbenzamide

C14H12N4O — CID 55052706

IUPACN-(4-cyanophenyl)-4-hydrazinylbenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(NN)cc2)cc1
InChIInChI=1S/C14H12N4O/c15-9-10-1-5-12(6-2-10)17-14(19)11-3-7-13(18-16)8-4-11/h1-8,18H,16H2,(H,17,19)
InChIKeyUQCDUIZGMDDLPS-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.10
Rot. Bonds3

About N-(4-cyanophenyl)-4-hydrazinylbenzamide

N-(4-cyanophenyl)-4-hydrazinylbenzamide (PubChem CID 55052706) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-hydrazinylbenzamide
PubChem CID55052706
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(4-cyanophenyl)-4-hydrazinylbenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(NN)cc2)cc1
InChIInChI=1S/C14H12N4O/c15-9-10-1-5-12(6-2-10)17-14(19)11-3-7-13(18-16)8-4-11/h1-8,18H,16H2,(H,17,19)
InChIKeyUQCDUIZGMDDLPS-UHFFFAOYSA-N
XLogP2.10
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.10
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

4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239
N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
CID 62269661
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
N-(4-amino-3-bromophenyl)-4-cyanobenzamide
CID 82861639
3-amino-4-bromo-N-(4-cyanophenyl)benzamide
CID 61091150
N-(4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62249045
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-hydrazinylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-4-hydrazinylbenzamide (CID 55052706) is N-(4-cyanophenyl)-4-hydrazinylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-hydrazinylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-4-hydrazinylbenzamide is N#Cc1ccc(NC(=O)c2ccc(NN)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-hydrazinylbenzamide?
The InChIKey is UQCDUIZGMDDLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-9-10-1-5-12(6-2-10)17-14(19)11-3-7-13(18-16)8-4-11/h1-8,18H,16H2,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-4-hydrazinylbenzamide?
N-(4-cyanophenyl)-4-hydrazinylbenzamide has a molecular weight of 252.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-hydrazinylbenzamide is sourced from PubChem (CID 55052706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).