2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol

C14H11Br2F2NO — CID 107598972

IUPAC2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNc1c(Br)cccc1Br)c1c(F)cccc1F
InChIInChI=1S/C14H11Br2F2NO/c15-8-3-1-4-9(16)14(8)19-7-12(20)13-10(17)5-2-6-11(13)18/h1-6,12,19-20H,7H2
InChIKeyLKLCFJXCVYMNFH-UHFFFAOYSA-N
MW407.05 g/mol
LogP4.64
Rot. Bonds4

About 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol

2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol (PubChem CID 107598972) has the molecular formula C14H11Br2F2NO and a molecular weight of 407.05 g/mol. Its IUPAC name is 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
PubChem CID107598972
Molecular FormulaC14H11Br2F2NO
Molecular Weight407.05 g/mol
Exact Mass404.92
IUPAC Name2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNc1c(Br)cccc1Br)c1c(F)cccc1F
InChIInChI=1S/C14H11Br2F2NO/c15-8-3-1-4-9(16)14(8)19-7-12(20)13-10(17)5-2-6-11(13)18/h1-6,12,19-20H,7H2
InChIKeyLKLCFJXCVYMNFH-UHFFFAOYSA-N
XLogP4.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.05
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol 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-(2,6-dibromo-4-methylanilino)-1-(2,6-difluorophenyl)ethanol
CID 63489722
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
2-(2,3-difluoroanilino)-1-(2,6-difluorophenyl)ethanol
CID 61074855
1-(2,6-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811525
1-(2-bromo-6-fluoroanilino)-3-methoxypropan-2-ol
CID 107599499
1-(2,6-difluorophenyl)-2-(4-fluoro-2-iodoanilino)ethanol
CID 79769099
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
2-(2,2-difluoroethylamino)-1-(2,6-difluorophenyl)ethanol
CID 115406681
4-[2-(2,6-dibromoanilino)-1-hydroxyethyl]benzonitrile
CID 107598960
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-6-methylbenzonitrile
CID 107804357
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol (CID 107598972) is 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol is OC(CNc1c(Br)cccc1Br)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is LKLCFJXCVYMNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2NO/c15-8-3-1-4-9(16)14(8)19-7-12(20)13-10(17)5-2-6-11(13)18/h1-6,12,19-20H,7H2.
What are the key properties of 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol?
2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol has a molecular weight of 407.05 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromoanilino)-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 107598972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).