2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride

C8H7BrCl2FNO — CID 122361063

IUPAC2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1c(F)ccc(Br)c1Cl
InChIInChI=1S/C8H6BrClFNO.ClH/c9-4-1-2-5(11)7(8(4)10)6(13)3-12;/h1-2H,3,12H2;1H
InChIKeyOGHGHOJZYREXPO-UHFFFAOYSA-N
MW302.96 g/mol
LogP2.80
Rot. Bonds2

About 2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride

2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride (PubChem CID 122361063) has the molecular formula C8H7BrCl2FNO and a molecular weight of 302.96 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride
PubChem CID122361063
Molecular FormulaC8H7BrCl2FNO
Molecular Weight302.96 g/mol
Exact Mass300.91
IUPAC Name2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1c(F)ccc(Br)c1Cl
InChIInChI=1S/C8H6BrClFNO.ClH/c9-4-1-2-5(11)7(8(4)10)6(13)3-12;/h1-2H,3,12H2;1H
InChIKeyOGHGHOJZYREXPO-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.96
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride
CID 122361145
1-(3-bromo-2-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 117450497
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
ethyl 2-(3-bromo-2-chloro-6-fluorophenyl)-2-oxoacetate
CID 117494256
2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 117280590
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
(6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone
CID 162346297
(3-bromo-2-chloro-6-fluorophenyl)-piperidin-1-ylmethanone
CID 164894050
2-amino-1-(2-bromo-6-chlorophenyl)ethanone
CID 84706659
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
6-bromo-2-chloro-3-fluorobenzoyl chloride
CID 129080978

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride (CID 122361063) is 2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride is Cl.NCC(=O)c1c(F)ccc(Br)c1Cl.
What is the InChIKey of 2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride?
The InChIKey is OGHGHOJZYREXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClFNO.ClH/c9-4-1-2-5(11)7(8(4)10)6(13)3-12;/h1-2H,3,12H2;1H.
What are the key properties of 2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride?
2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride has a molecular weight of 302.96 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 122361063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).