[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine

C16H16BrClN2O — CID 107948543

IUPAC[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
SMILESNNC(c1cc(Cl)cc(Br)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H16BrClN2O/c17-12-7-11(8-13(18)9-12)15(20-19)14-5-1-3-10-4-2-6-21-16(10)14/h1,3,5,7-9,15,20H,2,4,6,19H2
InChIKeyLMUPBIUZCCYZDH-UHFFFAOYSA-N
MW367.67 g/mol
LogP3.98
Rot. Bonds3

About [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine

[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine (PubChem CID 107948543) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
PubChem CID107948543
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
SMILESNNC(c1cc(Cl)cc(Br)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H16BrClN2O/c17-12-7-11(8-13(18)9-12)15(20-19)14-5-1-3-10-4-2-6-21-16(10)14/h1,3,5,7-9,15,20H,2,4,6,19H2
InChIKeyLMUPBIUZCCYZDH-UHFFFAOYSA-N
XLogP3.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 53.98
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

(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
[(3-bromo-5-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105238803
[(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
CID 103217817
[3,4-dihydro-2H-chromen-8-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105257545
[(5-bromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341897
[3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201665
[(4-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105281085
[3,4-dihydro-2H-chromen-8-yl-(2-ethylphenyl)methyl]hydrazine
CID 105340021
4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline
CID 105263658
[(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105222676
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
(4-bromo-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049185

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine (CID 107948543) is [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine is NNC(c1cc(Cl)cc(Br)c1)c1cccc2c1OCCC2.
What is the InChIKey of [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine?
The InChIKey is LMUPBIUZCCYZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c17-12-7-11(8-13(18)9-12)15(20-19)14-5-1-3-10-4-2-6-21-16(10)14/h1,3,5,7-9,15,20H,2,4,6,19H2.
What are the key properties of [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine?
[(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine has a molecular weight of 367.67 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine is sourced from PubChem (CID 107948543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).