N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

C23H18N4O2 — CID 3376598

IUPACN-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H18N4O2/c1-16-4-2-3-5-21(16)23(29)26-20-12-10-19(11-13-20)22(28)27-25-15-18-8-6-17(14-24)7-9-18/h2-13,15H,1H3,(H,26,29)(H,27,28)
InChIKeyCBIFESKGHZPOAB-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.88
Rot. Bonds5

About N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 3376598) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID3376598
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H18N4O2/c1-16-4-2-3-5-21(16)23(29)26-20-12-10-19(11-13-20)22(28)27-25-15-18-8-6-17(14-24)7-9-18/h2-13,15H,1H3,(H,26,29)(H,27,28)
InChIKeyCBIFESKGHZPOAB-UHFFFAOYSA-N
XLogP3.88
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3376592
N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376596
N-[4-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135560246
N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920978
N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
CID 690188
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177
2-bromo-N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 135510989
N'-[(4-cyanophenyl)methylideneamino]-N-phenyloxamide
CID 3544444

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (CID 3376598) is N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is CBIFESKGHZPOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-16-4-2-3-5-21(16)23(29)26-20-12-10-19(11-13-20)22(28)27-25-15-18-8-6-17(14-24)7-9-18/h2-13,15H,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 382.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 3376598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).