2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol

C14H11Br2F2NO — CID 102853410

IUPAC2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
SMILESOC(CNc1cc(Br)c(F)cc1F)c1cccc(Br)c1
InChIInChI=1S/C14H11Br2F2NO/c15-9-3-1-2-8(4-9)14(20)7-19-13-5-10(16)11(17)6-12(13)18/h1-6,14,19-20H,7H2
InChIKeyTWCVYEYNOBYECO-UHFFFAOYSA-N
MW407.05 g/mol
LogP4.64
Rot. Bonds4

About 2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol

2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol (PubChem CID 102853410) has the molecular formula C14H11Br2F2NO and a molecular weight of 407.05 g/mol. Its IUPAC name is 2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
PubChem CID102853410
Molecular FormulaC14H11Br2F2NO
Molecular Weight407.05 g/mol
Exact Mass404.92
IUPAC Name2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
SMILESOC(CNc1cc(Br)c(F)cc1F)c1cccc(Br)c1
InChIInChI=1S/C14H11Br2F2NO/c15-9-3-1-2-8(4-9)14(20)7-19-13-5-10(16)11(17)6-12(13)18/h1-6,14,19-20H,7H2
InChIKeyTWCVYEYNOBYECO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
CID 60909028
2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
CID 107635976
1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
CID 60900314
2-(2-bromo-4-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901542
5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
CID 102853196
2-(2-bromo-5-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 107635978
2-(2-bromoanilino)-1-(3-fluorophenyl)ethanol
CID 60897612
(2S)-3-(5-bromo-2,4-difluoroanilino)propane-1,2-diol
CID 102853500
1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
CID 62871336
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139
1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol
CID 60896322

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol?
The IUPAC name of 2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol (CID 102853410) is 2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol is OC(CNc1cc(Br)c(F)cc1F)c1cccc(Br)c1.
What is the InChIKey of 2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol?
The InChIKey is TWCVYEYNOBYECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2NO/c15-9-3-1-2-8(4-9)14(20)7-19-13-5-10(16)11(17)6-12(13)18/h1-6,14,19-20H,7H2.
What are the key properties of 2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol?
2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)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-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol is sourced from PubChem (CID 102853410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).