N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide

C13H13ClFN3OS — CID 62661470

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
SMILESCC(NC(=O)c1cccc(F)c1NN)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClFN3OS/c1-7(10-5-6-11(14)20-10)17-13(19)8-3-2-4-9(15)12(8)18-16/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyACXARSJPPLRXJZ-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide (PubChem CID 62661470) has the molecular formula C13H13ClFN3OS and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
PubChem CID62661470
Molecular FormulaC13H13ClFN3OS
Molecular Weight313.79 g/mol
Exact Mass313.05
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
SMILESCC(NC(=O)c1cccc(F)c1NN)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClFN3OS/c1-7(10-5-6-11(14)20-10)17-13(19)8-3-2-4-9(15)12(8)18-16/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyACXARSJPPLRXJZ-UHFFFAOYSA-N
XLogP3.32
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
CID 62660456
3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
CID 106501533
5-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296251
N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 55258868
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
CID 64604122
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37316927

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide (CID 62661470) is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide is CC(NC(=O)c1cccc(F)c1NN)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is ACXARSJPPLRXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3OS/c1-7(10-5-6-11(14)20-10)17-13(19)8-3-2-4-9(15)12(8)18-16/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 313.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 62661470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).