4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate

C20H16N3O3- — CID 4623297

IUPAC4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
SMILESO=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C20H17N3O3/c24-19(23-22-12-14-5-7-16(8-6-14)20(25)26)13-21-18-10-9-15-3-1-2-4-17(15)11-18/h1-12,21H,13H2,(H,23,24)(H,25,26)/p-1
InChIKeyZWXVOKHGRSAQRF-UHFFFAOYSA-M
MW346.37 g/mol
LogP1.77
Rot. Bonds6

About 4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate

4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 4623297) has the molecular formula C20H16N3O3- and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID4623297
Molecular FormulaC20H16N3O3-
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
SMILESO=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C20H17N3O3/c24-19(23-22-12-14-5-7-16(8-6-14)20(25)26)13-21-18-10-9-15-3-1-2-4-17(15)11-18/h1-12,21H,13H2,(H,23,24)(H,25,26)/p-1
InChIKeyZWXVOKHGRSAQRF-UHFFFAOYSA-M
XLogP1.77
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135473296
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 687876
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
4-[[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4983931
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 71066400
2-(anthracen-2-ylamino)-N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 59770955
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1271925
sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 171151497
[2-methoxy-4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 6282018
[2-ethoxy-4-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6142763
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate (CID 4623297) is 4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate is O=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is ZWXVOKHGRSAQRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H17N3O3/c24-19(23-22-12-14-5-7-16(8-6-14)20(25)26)13-21-18-10-9-15-3-1-2-4-17(15)11-18/h1-12,21H,13H2,(H,23,24)(H,25,26)/p-1.
What are the key properties of 4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate?
4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 346.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 4623297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).