N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine

C20H15FINO — CID 137417021

IUPACN-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine
SMILESCc1ccc(N(I)c2cccc3c2oc2c(F)cccc23)c(C)c1
InChIInChI=1S/C20H15FINO/c1-12-9-10-17(13(2)11-12)23(22)18-8-4-6-15-14-5-3-7-16(21)19(14)24-20(15)18/h3-11H,1-2H3
InChIKeyFFMLVDZYAVJOIC-UHFFFAOYSA-N
MW431.25 g/mol
LogP6.83
Rot. Bonds2

About N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine

N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine (PubChem CID 137417021) has the molecular formula C20H15FINO and a molecular weight of 431.25 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine
PubChem CID137417021
Molecular FormulaC20H15FINO
Molecular Weight431.25 g/mol
Exact Mass431.02
IUPAC NameN-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine
SMILESCc1ccc(N(I)c2cccc3c2oc2c(F)cccc23)c(C)c1
InChIInChI=1S/C20H15FINO/c1-12-9-10-17(13(2)11-12)23(22)18-8-4-6-15-14-5-3-7-16(21)19(14)24-20(15)18/h3-11H,1-2H3
InChIKeyFFMLVDZYAVJOIC-UHFFFAOYSA-N
XLogP6.83
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.25
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-methyl-N-(2-methylphenyl)dibenzofuran-4-amine
CID 134527955
1,6-difluorodibenzofuran;1-fluoro-8-methyldibenzofuran
CID 161173227
6-cyclohexyl-N-(2,4-dimethylphenyl)-N-methyldibenzofuran-4-amine
CID 138651898
6-(N-iodo-4-methylanilino)dibenzofuran-4-carbonitrile
CID 137416012
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-dimethylphenyl)-7-methylpyrene-1,3-diamine
CID 122578846
N-(2-ethylphenyl)-6-fluoro-N-methyldibenzofuran-4-amine
CID 134527957
N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 137416612
6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 134527961
N-(2-fluorophenyl)-N-iodo-10H-cyclohepta[b][1]benzofuran-4-amine
CID 145276734
6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
CID 166813401
1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
CID 11813371
6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137416686

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine (CID 137417021) is N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine is Cc1ccc(N(I)c2cccc3c2oc2c(F)cccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine?
The InChIKey is FFMLVDZYAVJOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FINO/c1-12-9-10-17(13(2)11-12)23(22)18-8-4-6-15-14-5-3-7-16(21)19(14)24-20(15)18/h3-11H,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine?
N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine has a molecular weight of 431.25 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-fluoro-N-iododibenzofuran-4-amine is sourced from PubChem (CID 137417021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).