2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one

C11H12BrClFNO — CID 106763933

IUPAC2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one
SMILESCCCC(N)C(=O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H12BrClFNO/c1-2-3-8(15)11(16)6-4-5-7(12)9(13)10(6)14/h4-5,8H,2-3,15H2,1H3
InChIKeyJYBAZCNUKOWACF-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.55
Rot. Bonds4

About 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one

2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one (PubChem CID 106763933) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one
PubChem CID106763933
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one
SMILESCCCC(N)C(=O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H12BrClFNO/c1-2-3-8(15)11(16)6-4-5-7(12)9(13)10(6)14/h4-5,8H,2-3,15H2,1H3
InChIKeyJYBAZCNUKOWACF-UHFFFAOYSA-N
XLogP3.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-1-(4-bromo-3-chloro-2-fluorophenyl)butan-1-one
CID 106763995
1-(4-bromo-3-chloro-2-fluorophenyl)decan-1-one
CID 106764158
2-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116554721
(E)-1-(4-bromo-3-chloro-2-fluorophenyl)pent-2-en-1-one
CID 106761967
2-(aminomethyl)-1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylbutan-1-one
CID 106764103
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
1-(4-bromo-3-chloro-2-fluorophenyl)-3-(methylamino)propan-1-one
CID 106763954
(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 106764270
1-(4-bromo-3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 106761854
[4-(aminomethyl)phenyl]-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106763911
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanone
CID 106764260

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one?
The IUPAC name of 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one (CID 106763933) is 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one?
The canonical SMILES for 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one is CCCC(N)C(=O)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one?
The InChIKey is JYBAZCNUKOWACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-2-3-8(15)11(16)6-4-5-7(12)9(13)10(6)14/h4-5,8H,2-3,15H2,1H3.
What are the key properties of 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one?
2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one has a molecular weight of 308.58 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)pentan-1-one is sourced from PubChem (CID 106763933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).