[2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine

C16H16ClFN2O — CID 103044304

IUPAC[2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16ClFN2O/c17-13-7-10(1-3-14(13)18)8-15(20-19)11-2-4-16-12(9-11)5-6-21-16/h1-4,7,9,15,20H,5-6,8,19H2
InChIKeyOTILGTPCJMRKMM-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.16
Rot. Bonds4

About [2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine

[2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine (PubChem CID 103044304) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
PubChem CID103044304
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name[2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H16ClFN2O/c17-13-7-10(1-3-14(13)18)8-15(20-19)11-2-4-16-12(9-11)5-6-21-16/h1-4,7,9,15,20H,5-6,8,19H2
InChIKeyOTILGTPCJMRKMM-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 105264484
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 63044758
[2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 105335211
[1-(4-bromo-3-fluorophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]hydrazine
CID 103044284
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 103047606
[2-(3-chloro-4-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694830
N'-(3-chloro-4-fluorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803503
[2-(3,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105330384
[2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192617
[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328955
[1-(3-chloro-4-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105218129

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine (CID 103044304) is [2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine is NNC(Cc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
The InChIKey is OTILGTPCJMRKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-13-7-10(1-3-14(13)18)8-15(20-19)11-2-4-16-12(9-11)5-6-21-16/h1-4,7,9,15,20H,5-6,8,19H2.
What are the key properties of [2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine?
[2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine has a molecular weight of 306.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine is sourced from PubChem (CID 103044304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).