1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol

C14H12BrClFNO — CID 60909028

IUPAC1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
SMILESOC(CNc1cc(Cl)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C14H12BrClFNO/c15-10-3-1-2-9(6-10)14(19)8-18-13-7-11(16)4-5-12(13)17/h1-7,14,18-19H,8H2
InChIKeyOUHIQMYUNLLDGW-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.39
Rot. Bonds4

About 1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol

1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol (PubChem CID 60909028) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
PubChem CID60909028
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
SMILESOC(CNc1cc(Cl)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C14H12BrClFNO/c15-10-3-1-2-9(6-10)14(19)8-18-13-7-11(16)4-5-12(13)17/h1-7,14,18-19H,8H2
InChIKeyOUHIQMYUNLLDGW-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
CID 102853410
2-(2-bromo-5-fluoroanilino)-1-(3-bromophenyl)ethanol
CID 107635976
1-(3-bromophenyl)-2-(2,4,6-trichloroanilino)ethanol
CID 63487848
1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
CID 60900314
2-(4-bromo-2-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60901009
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-3-chlorobenzonitrile
CID 107807867
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol (CID 60909028) is 1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol is OC(CNc1cc(Cl)ccc1F)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol?
The InChIKey is OUHIQMYUNLLDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-10-3-1-2-9(6-10)14(19)8-18-13-7-11(16)4-5-12(13)17/h1-7,14,18-19H,8H2.
What are the key properties of 1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol?
1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol has a molecular weight of 344.61 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol is sourced from PubChem (CID 60909028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).