[1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine

C16H18ClFN2O — CID 103053528

IUPAC[1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1cccc(CC(Cc2cc(Cl)ccc2F)NN)c1
InChIInChI=1S/C16H18ClFN2O/c1-21-15-4-2-3-11(8-15)7-14(20-19)10-12-9-13(17)5-6-16(12)18/h2-6,8-9,14,20H,7,10,19H2,1H3
InChIKeyKGADYZMVHAZKJI-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.10
Rot. Bonds6

About [1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine

[1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine (PubChem CID 103053528) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is [1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
PubChem CID103053528
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name[1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1cccc(CC(Cc2cc(Cl)ccc2F)NN)c1
InChIInChI=1S/C16H18ClFN2O/c1-21-15-4-2-3-11(8-15)7-14(20-19)10-12-9-13(17)5-6-16(12)18/h2-6,8-9,14,20H,7,10,19H2,1H3
InChIKeyKGADYZMVHAZKJI-UHFFFAOYSA-N
XLogP3.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.10
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

[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205131
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
[1-(5-chloro-2-fluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 103053532
[1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 103053500
[1-(2,5-dichlorophenyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105209040
[1-(2-chloro-6-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295289
[1-(5-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 103053586
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
4-chloro-1-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]-2-fluorobenzene
CID 114861945
[1-(3-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105264219

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine (CID 103053528) is [1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine is COc1cccc(CC(Cc2cc(Cl)ccc2F)NN)c1.
What is the InChIKey of [1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
The InChIKey is KGADYZMVHAZKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-21-15-4-2-3-11(8-15)7-14(20-19)10-12-9-13(17)5-6-16(12)18/h2-6,8-9,14,20H,7,10,19H2,1H3.
What are the key properties of [1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
[1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine has a molecular weight of 308.78 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 103053528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).