5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide

C14H22ClN3O2 — CID 62243489

IUPAC5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide
SMILESCC(C)CCOCCNC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C14H22ClN3O2/c1-10(2)5-7-20-8-6-17-14(19)12-9-11(15)3-4-13(12)18-16/h3-4,9-10,18H,5-8,16H2,1-2H3,(H,17,19)
InChIKeyXTUQCMGUSMFCAT-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.42
Rot. Bonds8

About 5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide

5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide (PubChem CID 62243489) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide
PubChem CID62243489
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide
SMILESCC(C)CCOCCNC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C14H22ClN3O2/c1-10(2)5-7-20-8-6-17-14(19)12-9-11(15)3-4-13(12)18-16/h3-4,9-10,18H,5-8,16H2,1-2H3,(H,17,19)
InChIKeyXTUQCMGUSMFCAT-UHFFFAOYSA-N
XLogP2.42
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.42
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-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
CID 62234135
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
2-chloro-N-[2-(3-methylbutoxy)ethyl]-5-sulfanylbenzamide
CID 107027369
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898
3-bromo-2-chloro-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 103989334
N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide
CID 106241299
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65053143
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
CID 114297427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
The IUPAC name of 5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide (CID 62243489) is 5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide is CC(C)CCOCCNC(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
The InChIKey is XTUQCMGUSMFCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-10(2)5-7-20-8-6-17-14(19)12-9-11(15)3-4-13(12)18-16/h3-4,9-10,18H,5-8,16H2,1-2H3,(H,17,19).
What are the key properties of 5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide has a molecular weight of 299.80 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide is sourced from PubChem (CID 62243489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).