1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone

C10H11Cl2NO3 — CID 21474021

IUPAC1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone
SMILESCOC(OC)C(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-15-10(16-2)9(14)8-6(12)3-5(11)4-7(8)13/h3-4,10H,13H2,1-2H3
InChIKeyVWSIZQXNYDVVOO-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone

1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone (PubChem CID 21474021) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is 1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone.

Molecular Properties

Compound Name1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone
PubChem CID21474021
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone
SMILESCOC(OC)C(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-15-10(16-2)9(14)8-6(12)3-5(11)4-7(8)13/h3-4,10H,13H2,1-2H3
InChIKeyVWSIZQXNYDVVOO-UHFFFAOYSA-N
XLogP2.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone
CID 21474024
3,5-dichloro-2-methoxyaniline
CID 11217747
methyl 2-(2-amino-4,6-dichlorophenyl)acetate
CID 131482461
2,4-dichloro-6-methoxybenzamide
CID 118588801
ethyl 2,4,6-trichlorobenzoate
CID 91733956
2-amino-4,6-dichloro-N-phenylbenzamide
CID 15314627
ethyl 2-oxo-2-(2,4,6-trichlorophenyl)acetate
CID 105349729
3-amino-2,5-dichlorobenzoic acid;3,6-dichloro-2-methoxybenzoic acid
CID 23168481
2-cyclopropyl-1-(2,4,6-trichlorophenyl)propan-1-one
CID 105349113
2,4,6-trichlorobenzoyl fluoride
CID 154123611
2-amino-1-(2,4,6-trichlorophenyl)ethanone
CID 70444583
2,4,6-trichlorobenzoic acid;2,4,6-trichlorobenzoyl chloride
CID 161186868

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone?
The IUPAC name of 1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone (CID 21474021) is 1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone.
What is the SMILES notation for 1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone?
The canonical SMILES for 1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone is COC(OC)C(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone?
The InChIKey is VWSIZQXNYDVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-15-10(16-2)9(14)8-6(12)3-5(11)4-7(8)13/h3-4,10H,13H2,1-2H3.
What are the key properties of 1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone?
1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone has a molecular weight of 264.11 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-dichlorophenyl)-2,2-dimethoxyethanone is sourced from PubChem (CID 21474021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).