1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one

C10H11BrClNO2 — CID 71713899

IUPAC1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one
SMILESCOc1cc(Br)c(N)c(C(=O)C(C)Cl)c1
InChIInChI=1S/C10H11BrClNO2/c1-5(12)10(14)7-3-6(15-2)4-8(11)9(7)13/h3-5H,13H2,1-2H3
InChIKeySQBJIQNDQHXNGK-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.85
Rot. Bonds3

About 1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one

1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one (PubChem CID 71713899) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is 1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one.

Molecular Properties

Compound Name1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one
PubChem CID71713899
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Name1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one
SMILESCOc1cc(Br)c(N)c(C(=O)C(C)Cl)c1
InChIInChI=1S/C10H11BrClNO2/c1-5(12)10(14)7-3-6(15-2)4-8(11)9(7)13/h3-5H,13H2,1-2H3
InChIKeySQBJIQNDQHXNGK-UHFFFAOYSA-N
XLogP2.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2,4-dimethoxyphenyl)-2-chloropropan-1-one
CID 82050583
2,6-dibromo-4-methoxyaniline
CID 542895
2-chloro-1-(4-methoxy-2,6-dimethylphenyl)propan-1-one
CID 82048974
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
methyl 4-bromo-2-(2-chloropropanoyl)benzoate
CID 134648660
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
2-chloro-1-(2,5-dibromo-4-methylphenyl)propan-1-one
CID 81468478
2-chloro-1-(2,5-dibromophenyl)propan-1-one
CID 82050202
2-amino-3-bromo-5-chloro-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 146371203
1-[2-amino-3-bromo-5-(trifluoromethoxy)phenyl]ethanone
CID 118998044
1-(3-amino-2-bromophenyl)-2-chloropropan-1-one
CID 118826655
2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one
CID 130136829

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one?
The IUPAC name of 1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one (CID 71713899) is 1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one.
What is the SMILES notation for 1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one?
The canonical SMILES for 1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one is COc1cc(Br)c(N)c(C(=O)C(C)Cl)c1.
What is the InChIKey of 1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one?
The InChIKey is SQBJIQNDQHXNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-5(12)10(14)7-3-6(15-2)4-8(11)9(7)13/h3-5H,13H2,1-2H3.
What are the key properties of 1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one?
1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one has a molecular weight of 292.56 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-bromo-5-methoxyphenyl)-2-chloropropan-1-one is sourced from PubChem (CID 71713899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).