4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol

C14H13FINO2 — CID 79769236

IUPAC4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(F)cc1I)c1ccc(O)cc1O
InChIInChI=1S/C14H13FINO2/c1-8(11-4-3-10(18)7-14(11)19)17-13-5-2-9(15)6-12(13)16/h2-8,17-19H,1H3
InChIKeyCZDNIRMKSAESPU-UHFFFAOYSA-N
MW373.17 g/mol
LogP4.01
Rot. Bonds3

About 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol

4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol (PubChem CID 79769236) has the molecular formula C14H13FINO2 and a molecular weight of 373.17 g/mol. Its IUPAC name is 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol
PubChem CID79769236
Molecular FormulaC14H13FINO2
Molecular Weight373.17 g/mol
Exact Mass373.00
IUPAC Name4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(F)cc1I)c1ccc(O)cc1O
InChIInChI=1S/C14H13FINO2/c1-8(11-4-3-10(18)7-14(11)19)17-13-5-2-9(15)6-12(13)16/h2-8,17-19H,1H3
InChIKeyCZDNIRMKSAESPU-UHFFFAOYSA-N
XLogP4.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.17
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol 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

2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
CID 79769055
4-[1-(2,3,5-trifluoroanilino)ethyl]benzene-1,3-diol
CID 62811107
5-fluoro-2-[1-(4-fluoro-2-methoxyanilino)ethyl]phenol
CID 63069226
2-[1-(4-fluoro-2-methylanilino)ethyl]benzene-1,4-diol
CID 43195958
5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
CID 63065839
4-[1-(5-bromo-2-fluoroanilino)ethyl]benzene-1,3-diol
CID 43555382
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2,6-dimethylphenol
CID 63064990
4-[1-(2,3,5,6-tetrafluoroanilino)ethyl]benzene-1,3-diol
CID 107643564
2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
CID 63066349
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]-5-fluorophenol
CID 63064811
2-[1-(2-chloro-4-methylanilino)ethyl]-5-fluorophenol
CID 63064776
4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
CID 79768643

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol (CID 79769236) is 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol is CC(Nc1ccc(F)cc1I)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol?
The InChIKey is CZDNIRMKSAESPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO2/c1-8(11-4-3-10(18)7-14(11)19)17-13-5-2-9(15)6-12(13)16/h2-8,17-19H,1H3.
What are the key properties of 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol?
4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol has a molecular weight of 373.17 g/mol, XLogP of 4.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-2-iodoanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 79769236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).