4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide

C18H15N5O — CID 169338311

IUPAC4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NN=C(C#N)C#N)cc1)c1ccccc1
InChIInChI=1S/C18H15N5O/c1-13(14-5-3-2-4-6-14)21-18(24)15-7-9-16(10-8-15)22-23-17(11-19)12-20/h2-10,13,22H,1H3,(H,21,24)
InChIKeyMMEHMXGBRSMCHX-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.99
Rot. Bonds5

About 4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide

4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide (PubChem CID 169338311) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide
PubChem CID169338311
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NN=C(C#N)C#N)cc1)c1ccccc1
InChIInChI=1S/C18H15N5O/c1-13(14-5-3-2-4-6-14)21-18(24)15-7-9-16(10-8-15)22-23-17(11-19)12-20/h2-10,13,22H,1H3,(H,21,24)
InChIKeyMMEHMXGBRSMCHX-UHFFFAOYSA-N
XLogP2.99
TPSA101.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-phenylethyl)-4-(1,2,2-tricyanoethenylamino)benzamide
CID 168607076
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
2-hydroxy-N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 42578583
4-[[4-[2-(dicyanomethylidene)hydrazinyl]benzoyl]amino]benzamide
CID 169341949
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9033040
[4-[[(1R)-1-phenylethyl]carbamoyl]phenyl] acetate
CID 690409

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide (CID 169338311) is 4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NN=C(C#N)C#N)cc1)c1ccccc1.
What is the InChIKey of 4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide?
The InChIKey is MMEHMXGBRSMCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-13(14-5-3-2-4-6-14)21-18(24)15-7-9-16(10-8-15)22-23-17(11-19)12-20/h2-10,13,22H,1H3,(H,21,24).
What are the key properties of 4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide?
4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide has a molecular weight of 317.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dicyanomethylidene)hydrazinyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 169338311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).