N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide

C15H14N4O — CID 62269661

IUPACN-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(NN)cc2)cc1
InChIInChI=1S/C15H14N4O/c16-9-11-1-3-12(4-2-11)10-18-15(20)13-5-7-14(19-17)8-6-13/h1-8,19H,10,17H2,(H,18,20)
InChIKeyWTJUJGQIJRPURT-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.77
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide

N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide (PubChem CID 62269661) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
PubChem CID62269661
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(NN)cc2)cc1
InChIInChI=1S/C15H14N4O/c16-9-11-1-3-12(4-2-11)10-18-15(20)13-5-7-14(19-17)8-6-13/h1-8,19H,10,17H2,(H,18,20)
InChIKeyWTJUJGQIJRPURT-UHFFFAOYSA-N
XLogP1.77
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.77
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-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
4-(2-cyanoacetyl)-N-[(4-cyanophenyl)methyl]benzamide
CID 170943860
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 134035332
tert-butyl N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]carbamate
CID 46591116
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
CID 30380859
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
N-[(4-cyanophenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 134035426
5-chloro-N-[(4-cyanophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62269659

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide (CID 62269661) is N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide is N#Cc1ccc(CNC(=O)c2ccc(NN)cc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide?
The InChIKey is WTJUJGQIJRPURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-9-11-1-3-12(4-2-11)10-18-15(20)13-5-7-14(19-17)8-6-13/h1-8,19H,10,17H2,(H,18,20).
What are the key properties of N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide?
N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide is sourced from PubChem (CID 62269661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).