[(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine

C16H16ClIN2O — CID 103217817

IUPAC[(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
SMILESNNC(c1ccc(I)c(Cl)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H16ClIN2O/c17-13-9-11(6-7-14(13)18)15(20-19)12-5-1-3-10-4-2-8-21-16(10)12/h1,3,5-7,9,15,20H,2,4,8,19H2
InChIKeyUXABWABGPHARIF-UHFFFAOYSA-N
MW414.67 g/mol
LogP3.82
Rot. Bonds3

About [(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine

[(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine (PubChem CID 103217817) has the molecular formula C16H16ClIN2O and a molecular weight of 414.67 g/mol. Its IUPAC name is [(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
PubChem CID103217817
Molecular FormulaC16H16ClIN2O
Molecular Weight414.67 g/mol
Exact Mass414.00
IUPAC Name[(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine
SMILESNNC(c1ccc(I)c(Cl)c1)c1cccc2c1OCCC2
InChIInChI=1S/C16H16ClIN2O/c17-13-9-11(6-7-14(13)18)15(20-19)12-5-1-3-10-4-2-8-21-16(10)12/h1,3,5-7,9,15,20H,2,4,8,19H2
InChIKeyUXABWABGPHARIF-UHFFFAOYSA-N
XLogP3.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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)methyl]hydrazine
CID 107948543
[3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201665
[3,4-dihydro-2H-chromen-8-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105257545
(4-bromo-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049185
[2,3-dihydro-1-benzofuran-7-yl(pyridin-4-yl)methyl]hydrazine
CID 105196662
[2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204228
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209
[(5-bromothiophen-3-yl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341897
[3,4-dihydro-2H-chromen-8-yl-(2-ethylphenyl)methyl]hydrazine
CID 105340021
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512
[2,3-dihydro-1-benzofuran-7-yl(furan-3-yl)methyl]hydrazine
CID 105221476
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine (CID 103217817) is [(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine is NNC(c1ccc(I)c(Cl)c1)c1cccc2c1OCCC2.
What is the InChIKey of [(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine?
The InChIKey is UXABWABGPHARIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClIN2O/c17-13-9-11(6-7-14(13)18)15(20-19)12-5-1-3-10-4-2-8-21-16(10)12/h1,3,5-7,9,15,20H,2,4,8,19H2.
What are the key properties of [(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine?
[(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine has a molecular weight of 414.67 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-iodophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]hydrazine is sourced from PubChem (CID 103217817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).