1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone

C9H9Cl2NO2 — CID 45117929

IUPAC1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
SMILESCOc1ccc(C(=O)C(Cl)Cl)c(N)c1
InChIInChI=1S/C9H9Cl2NO2/c1-14-5-2-3-6(7(12)4-5)8(13)9(10)11/h2-4,9H,12H2,1H3
InChIKeyDBQNTXXUHMMCHD-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.26
Rot. Bonds3

About 1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone

1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone (PubChem CID 45117929) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone.

Molecular Properties

Compound Name1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
PubChem CID45117929
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
SMILESCOc1ccc(C(=O)C(Cl)Cl)c(N)c1
InChIInChI=1S/C9H9Cl2NO2/c1-14-5-2-3-6(7(12)4-5)8(13)9(10)11/h2-4,9H,12H2,1H3
InChIKeyDBQNTXXUHMMCHD-UHFFFAOYSA-N
XLogP2.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.26
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

2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanone
CID 82626892
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
CID 116602267
2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 113305134
(E)-2-amino-1-(2-amino-4-methoxyphenyl)-3-hydroxyprop-2-en-1-one
CID 156713473
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
2-amino-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 82721345

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone?
The IUPAC name of 1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone (CID 45117929) is 1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone.
What is the SMILES notation for 1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone?
The canonical SMILES for 1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone is COc1ccc(C(=O)C(Cl)Cl)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone?
The InChIKey is DBQNTXXUHMMCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-5-2-3-6(7(12)4-5)8(13)9(10)11/h2-4,9H,12H2,1H3.
What are the key properties of 1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone?
1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone has a molecular weight of 234.08 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone is sourced from PubChem (CID 45117929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).