5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide

C11H16ClN3O2 — CID 62234135

IUPAC5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
SMILESCCOCCNC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C11H16ClN3O2/c1-2-17-6-5-14-11(16)9-7-8(12)3-4-10(9)15-13/h3-4,7,15H,2,5-6,13H2,1H3,(H,14,16)
InChIKeyDOCVHFWPJAFWBN-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.39
Rot. Bonds6

About 5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide

5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide (PubChem CID 62234135) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
PubChem CID62234135
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
SMILESCCOCCNC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C11H16ClN3O2/c1-2-17-6-5-14-11(16)9-7-8(12)3-4-10(9)15-13/h3-4,7,15H,2,5-6,13H2,1H3,(H,14,16)
InChIKeyDOCVHFWPJAFWBN-UHFFFAOYSA-N
XLogP1.39
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62243489
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
5-chloro-2-(2-ethoxyethylcarbamoylamino)benzoic acid
CID 61202362
N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide
CID 106241299
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 108573417

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide?
The IUPAC name of 5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide (CID 62234135) is 5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide.
What is the SMILES notation for 5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide?
The canonical SMILES for 5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide is CCOCCNC(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of 5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide?
The InChIKey is DOCVHFWPJAFWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-2-17-6-5-14-11(16)9-7-8(12)3-4-10(9)15-13/h3-4,7,15H,2,5-6,13H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide?
5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide has a molecular weight of 257.72 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide is sourced from PubChem (CID 62234135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).