N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine

C13H11FINO — CID 151068942

IUPACN-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine
SMILESCc1cc(I)ccc1N(O)c1ccccc1F
InChIInChI=1S/C13H11FINO/c1-9-8-10(15)6-7-12(9)16(17)13-5-3-2-4-11(13)14/h2-8,17H,1H3
InChIKeyMHSJFKGJFUYDCI-UHFFFAOYSA-N
MW343.14 g/mol
LogP4.27
Rot. Bonds2

About N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine

N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine (PubChem CID 151068942) has the molecular formula C13H11FINO and a molecular weight of 343.14 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine
PubChem CID151068942
Molecular FormulaC13H11FINO
Molecular Weight343.14 g/mol
Exact Mass342.99
IUPAC NameN-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine
SMILESCc1cc(I)ccc1N(O)c1ccccc1F
InChIInChI=1S/C13H11FINO/c1-9-8-10(15)6-7-12(9)16(17)13-5-3-2-4-11(13)14/h2-8,17H,1H3
InChIKeyMHSJFKGJFUYDCI-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol
CID 141047626
4-(aminomethyl)-N-(2-fluorophenyl)-N,2-dimethylaniline
CID 55207918
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 55937923
N-[[3-acetyl-5-(2-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]-N-(4-iodo-2-methylphenyl)acetamide
CID 22577189
N-bromo-N-(2-fluorophenyl)acetamide
CID 131853313
5-chloro-N-(2-fluorophenyl)-2-iodo-N-methylbenzamide
CID 113230081
2-fluoro-N-(2-fluorophenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 137434924
N-(2-fluorophenyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648957
N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 43717020
1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
CID 103590266
2-[2-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 94254513
3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 55091797

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine?
The IUPAC name of N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine (CID 151068942) is N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine.
What is the SMILES notation for N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine?
The canonical SMILES for N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine is Cc1cc(I)ccc1N(O)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine?
The InChIKey is MHSJFKGJFUYDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FINO/c1-9-8-10(15)6-7-12(9)16(17)13-5-3-2-4-11(13)14/h2-8,17H,1H3.
What are the key properties of N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine?
N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine has a molecular weight of 343.14 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine is sourced from PubChem (CID 151068942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).