2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol

C17H18F2INO2 — CID 141047626

IUPAC2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol
SMILESCc1cc(I)ccc1N(OC(C)(C)CO)c1cccc(F)c1F
InChIInChI=1S/C17H18F2INO2/c1-11-9-12(20)7-8-14(11)21(23-17(2,3)10-22)15-6-4-5-13(18)16(15)19/h4-9,22H,10H2,1-3H3
InChIKeyKWHWAXJRBKEGQD-UHFFFAOYSA-N
MW433.24 g/mol
LogP4.72
Rot. Bonds5

About 2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol

2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol (PubChem CID 141047626) has the molecular formula C17H18F2INO2 and a molecular weight of 433.24 g/mol. Its IUPAC name is 2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol
PubChem CID141047626
Molecular FormulaC17H18F2INO2
Molecular Weight433.24 g/mol
Exact Mass433.04
IUPAC Name2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol
SMILESCc1cc(I)ccc1N(OC(C)(C)CO)c1cccc(F)c1F
InChIInChI=1S/C17H18F2INO2/c1-11-9-12(20)7-8-14(11)21(23-17(2,3)10-22)15-6-4-5-13(18)16(15)19/h4-9,22H,10H2,1-3H3
InChIKeyKWHWAXJRBKEGQD-UHFFFAOYSA-N
XLogP4.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.24
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)hydroxylamine
CID 151068942
3-(N-(4-chloro-2,3-difluorophenyl)-4-iodo-2-methylanilino)oxy-2-methoxypropan-1-ol
CID 141047565
1-[(N-(4-chloro-2,3-difluorophenyl)-4-iodo-2-methylanilino)oxymethyl]cyclobutan-1-ol
CID 141047589
1-(N-(4-bromo-2,3-difluorophenyl)-4-iodo-2-methylanilino)oxy-3-phenoxypropan-2-ol
CID 141047583
N,N,2,3-tetrafluoroaniline
CID 25090604
4,5-difluoro-N-(3-hydroxy-2,2-dimethylpropoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286142
(2,3-difluorophenyl)-methylcarbamic acid
CID 67274769
2-(N-(3-ethoxy-3-oxopropyl)-2,3-difluoroanilino)acetic acid
CID 23052753
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
diethyl 2-(2,3-difluorophenyl)propanedioate
CID 63990453
2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol?
The IUPAC name of 2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol (CID 141047626) is 2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol?
The canonical SMILES for 2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol is Cc1cc(I)ccc1N(OC(C)(C)CO)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol?
The InChIKey is KWHWAXJRBKEGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2INO2/c1-11-9-12(20)7-8-14(11)21(23-17(2,3)10-22)15-6-4-5-13(18)16(15)19/h4-9,22H,10H2,1-3H3.
What are the key properties of 2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol?
2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol has a molecular weight of 433.24 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-N-(4-iodo-2-methylphenyl)anilino)oxy-2-methylpropan-1-ol is sourced from PubChem (CID 141047626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).