N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline

C13H12FN3O — CID 2853312

IUPACN-[(4-fluorophenyl)diazenyl]-4-methoxyaniline
SMILESCOc1ccc(N/N=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FN3O/c1-18-13-8-6-12(7-9-13)16-17-15-11-4-2-10(14)3-5-11/h2-9H,1H3,(H,15,16)
InChIKeyRSFICDVOWWXLOT-UHFFFAOYSA-N
MW245.26 g/mol
LogP3.95
Rot. Bonds4

About N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline

N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline (PubChem CID 2853312) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)diazenyl]-4-methoxyaniline
PubChem CID2853312
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-[(4-fluorophenyl)diazenyl]-4-methoxyaniline
SMILESCOc1ccc(N/N=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C13H12FN3O/c1-18-13-8-6-12(7-9-13)16-17-15-11-4-2-10(14)3-5-11/h2-9H,1H3,(H,15,16)
InChIKeyRSFICDVOWWXLOT-UHFFFAOYSA-N
XLogP3.95
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline with MolForge

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

Launch Full Analysis

Related Compounds

4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline
CID 101380460
4-methoxy-N-(propan-2-yldiazenyl)aniline
CID 19905788
(4-methoxyphenyl)-methyldiazene
CID 20589170
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
N-(4-fluoroanilino)-N'-(4-methoxyphenyl)-3,3-dimethyl-2-oxobutanimidamide
CID 68918230
1-cyano-N'-(4-methoxyanilino)-N-(4-methoxyphenyl)iminomethanimidamide
CID 3914053
N-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanimine
CID 139246217
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
2-fluoro-N'-(4-methoxyanilino)ethanimidamide
CID 141071523

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline?
The IUPAC name of N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline (CID 2853312) is N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline.
What is the SMILES notation for N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline?
The canonical SMILES for N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline is COc1ccc(N/N=N/c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline?
The InChIKey is RSFICDVOWWXLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-18-13-8-6-12(7-9-13)16-17-15-11-4-2-10(14)3-5-11/h2-9H,1H3,(H,15,16).
What are the key properties of N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline?
N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline has a molecular weight of 245.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)diazenyl]-4-methoxyaniline is sourced from PubChem (CID 2853312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).