4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide

C21H18ClN3O2 — CID 6063456

IUPAC4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N/NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H18ClN3O2/c1-14(17-7-6-15-4-2-3-5-18(15)12-17)24-25-20(26)13-23-21(27)16-8-10-19(22)11-9-16/h2-12H,13H2,1H3,(H,23,27)(H,25,26)/b24-14-
InChIKeyJOXLHIAAUIAFGI-OYKKKHCWSA-N
MW379.85 g/mol
LogP3.76
Rot. Bonds5

About 4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide

4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 6063456) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID6063456
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N/NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H18ClN3O2/c1-14(17-7-6-15-4-2-3-5-18(15)12-17)24-25-20(26)13-23-21(27)16-8-10-19(22)11-9-16/h2-12H,13H2,1H3,(H,23,27)(H,25,26)/b24-14-
InChIKeyJOXLHIAAUIAFGI-OYKKKHCWSA-N
XLogP3.76
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-N-[2-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6076795
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1362119
4-(2,4-dichlorophenoxy)-N-(1-naphthalen-2-ylethylideneamino)butanamide
CID 4284364
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4583055
3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 3375697
4-chloro-N-[2-oxo-2-[(2E)-2-[2-phenyl-1-(4-phenylphenyl)ethylidene]hydrazinyl]ethyl]benzamide
CID 16761074
N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
CID 75409659
4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6297900

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide (CID 6063456) is 4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide is C/C(=N/NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is JOXLHIAAUIAFGI-OYKKKHCWSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14(17-7-6-15-4-2-3-5-18(15)12-17)24-25-20(26)13-23-21(27)16-8-10-19(22)11-9-16/h2-12H,13H2,1H3,(H,23,27)(H,25,26)/b24-14-.
What are the key properties of 4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide?
4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 379.85 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 6063456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).