2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one

C9H9BrClNO — CID 84710830

IUPAC2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one
SMILESCC(N)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H9BrClNO/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5H,12H2,1H3
InChIKeyBTYMTHNPNGMIPG-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.63
Rot. Bonds2

About 2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one

2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one (PubChem CID 84710830) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one
PubChem CID84710830
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one
SMILESCC(N)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H9BrClNO/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5H,12H2,1H3
InChIKeyBTYMTHNPNGMIPG-UHFFFAOYSA-N
XLogP2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 92742810
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CID 78972945
potassium 5-bromo-2-chlorobenzoate
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sodium 5-bromo-2-chlorobenzoate
CID 138319500
2-chloro-1-(2,5-dibromophenyl)propan-1-one
CID 82050202
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
CID 84704280
3-(5-bromo-2-chlorophenyl)-2-(4-methylphenyl)-3-oxopropanenitrile
CID 62829977
5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide
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1-(5-bromo-2-chlorophenyl)-3-methylhexan-1-one
CID 114968707

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one?
The IUPAC name of 2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one (CID 84710830) is 2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one is CC(N)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one?
The InChIKey is BTYMTHNPNGMIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-5(12)9(13)7-4-6(10)2-3-8(7)11/h2-5H,12H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one?
2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one has a molecular weight of 262.53 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one is sourced from PubChem (CID 84710830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).