5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

C14H22ClN3O3 — CID 62247658

IUPAC5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C14H22ClN3O3/c1-20-8-3-6-18(7-9-21-2)14(19)12-10-11(15)4-5-13(12)17-16/h4-5,10,17H,3,6-9,16H2,1-2H3
InChIKeyZAEVBUCSYRKZMU-UHFFFAOYSA-N
MW315.80 g/mol
LogP1.75
Rot. Bonds9

About 5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (PubChem CID 62247658) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
PubChem CID62247658
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Name5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C14H22ClN3O3/c1-20-8-3-6-18(7-9-21-2)14(19)12-10-11(15)4-5-13(12)17-16/h4-5,10,17H,3,6-9,16H2,1-2H3
InChIKeyZAEVBUCSYRKZMU-UHFFFAOYSA-N
XLogP1.75
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 113468065
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145
5-chloro-N-ethyl-N-(2-methoxyethyl)-2-(methylamino)benzamide
CID 55046766
3-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 105071832
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methyl-2-(methylamino)benzamide
CID 62509551
5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide
CID 63010043
5-chloro-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 62236604
5-chloro-N-(2-chloroethyl)-2-iodo-N-(2-methoxyethyl)benzamide
CID 114029716
2-hydrazinyl-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)benzamide
CID 62511290
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 103892150

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (CID 62247658) is 5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is COCCCN(CCOC)C(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The InChIKey is ZAEVBUCSYRKZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O3/c1-20-8-3-6-18(7-9-21-2)14(19)12-10-11(15)4-5-13(12)17-16/h4-5,10,17H,3,6-9,16H2,1-2H3.
What are the key properties of 5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide has a molecular weight of 315.80 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 62247658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).