2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone

C8H6BrClFNO — CID 117420397

IUPAC2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone
SMILESNCC(=O)c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C8H6BrClFNO/c9-5-1-4(7(13)3-12)2-6(10)8(5)11/h1-2H,3,12H2
InChIKeyBTJYPWRHFRURLJ-UHFFFAOYSA-N
MW266.50 g/mol
LogP2.38
Rot. Bonds2

About 2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone

2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone (PubChem CID 117420397) has the molecular formula C8H6BrClFNO and a molecular weight of 266.50 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone
PubChem CID117420397
Molecular FormulaC8H6BrClFNO
Molecular Weight266.50 g/mol
Exact Mass264.93
IUPAC Name2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone
SMILESNCC(=O)c1cc(Cl)c(F)c(Br)c1
InChIInChI=1S/C8H6BrClFNO/c9-5-1-4(7(13)3-12)2-6(10)8(5)11/h1-2H,3,12H2
InChIKeyBTJYPWRHFRURLJ-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone 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-amino-1-(3,5-dichloro-4-fluorophenyl)ethanone;hydrochloride
CID 122235372
3-bromo-5-chloro-4-fluorobenzamide
CID 131622385
3-amino-1-(3-chloro-4-fluoro-5-hydroxyphenyl)propan-1-one
CID 84785700
3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one
CID 117331420
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)acetic acid
CID 117454067
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
CID 83835408
2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
CID 117403867
4-(2-aminoacetyl)-2,6-difluorobenzoic acid
CID 117306137
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
CID 117424956
2-amino-1-(3-chloro-5-methylsulfanylphenyl)ethanone
CID 84681474
1-(4-bromo-3,5-dichlorophenyl)-2-chloroethanone
CID 171004358

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone?
The IUPAC name of 2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone (CID 117420397) is 2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone is NCC(=O)c1cc(Cl)c(F)c(Br)c1.
What is the InChIKey of 2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone?
The InChIKey is BTJYPWRHFRURLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClFNO/c9-5-1-4(7(13)3-12)2-6(10)8(5)11/h1-2H,3,12H2.
What are the key properties of 2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone?
2-amino-1-(3-bromo-5-chloro-4-fluorophenyl)ethanone has a molecular weight of 266.50 g/mol, XLogP of 2.38, 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-5-chloro-4-fluorophenyl)ethanone is sourced from PubChem (CID 117420397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).