4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide

C19H20ClN3O4 — CID 24634664

IUPAC4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O4/c1-12-4-3-5-13(2)18(12)27-11-17(25)23-22-16(24)10-21-19(26)14-6-8-15(20)9-7-14/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeySGYMDVTZNCSWQW-UHFFFAOYSA-N
MW389.84 g/mol
LogP1.91
Rot. Bonds6

About 4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide

4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 24634664) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID24634664
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O4/c1-12-4-3-5-13(2)18(12)27-11-17(25)23-22-16(24)10-21-19(26)14-6-8-15(20)9-7-14/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeySGYMDVTZNCSWQW-UHFFFAOYSA-N
XLogP1.91
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(2S)-1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24546343
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-4-chlorobenzamide
CID 9414874
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 909276
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N-(3-aminopropyl)-4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]benzamide
CID 82097491
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4503208
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327
N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 34572785
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide (CID 24634664) is 4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide is Cc1cccc(C)c1OCC(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is SGYMDVTZNCSWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-12-4-3-5-13(2)18(12)27-11-17(25)23-22-16(24)10-21-19(26)14-6-8-15(20)9-7-14/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 389.84 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 24634664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).