4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline

C15H17ClFN3 — CID 175269352

IUPAC4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline
SMILESCc1c(-c2ccc(N(C)C)cc2)cc(F)c(NN)c1Cl
InChIInChI=1S/C15H17ClFN3/c1-9-12(8-13(17)15(19-18)14(9)16)10-4-6-11(7-5-10)20(2)3/h4-8,19H,18H2,1-3H3
InChIKeyDNJGIMVVKRRQCW-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.81
Rot. Bonds3

About 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline

4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline (PubChem CID 175269352) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline
PubChem CID175269352
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline
SMILESCc1c(-c2ccc(N(C)C)cc2)cc(F)c(NN)c1Cl
InChIInChI=1S/C15H17ClFN3/c1-9-12(8-13(17)15(19-18)14(9)16)10-4-6-11(7-5-10)20(2)3/h4-8,19H,18H2,1-3H3
InChIKeyDNJGIMVVKRRQCW-UHFFFAOYSA-N
XLogP3.81
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.81
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'}

Analyze 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline (CID 175269352) is 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline is Cc1c(-c2ccc(N(C)C)cc2)cc(F)c(NN)c1Cl.
What is the InChIKey of 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline?
The InChIKey is DNJGIMVVKRRQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-9-12(8-13(17)15(19-18)14(9)16)10-4-6-11(7-5-10)20(2)3/h4-8,19H,18H2,1-3H3.
What are the key properties of 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline?
4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline has a molecular weight of 293.77 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluoro-4-hydrazinyl-2-methylphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 175269352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).