1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone

C15H13Cl2NO — CID 116550897

IUPAC1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2c(Cl)cccc2Cl)cc1N
InChIInChI=1S/C15H13Cl2NO/c1-9-5-6-10(7-14(9)18)15(19)8-11-12(16)3-2-4-13(11)17/h2-7H,8,18H2,1H3
InChIKeyLEGIOIFMSYTAMY-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.31
Rot. Bonds3

About 1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone

1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone (PubChem CID 116550897) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
PubChem CID116550897
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
SMILESCc1ccc(C(=O)Cc2c(Cl)cccc2Cl)cc1N
InChIInChI=1S/C15H13Cl2NO/c1-9-5-6-10(7-14(9)18)15(19)8-11-12(16)3-2-4-13(11)17/h2-7H,8,18H2,1H3
InChIKeyLEGIOIFMSYTAMY-UHFFFAOYSA-N
XLogP4.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dichlorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665539
1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052274
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
(2-chloro-6-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665527
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 63411340
1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 116553942
1-(5-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanone
CID 114966275
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone (CID 116550897) is 1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone is Cc1ccc(C(=O)Cc2c(Cl)cccc2Cl)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is LEGIOIFMSYTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-9-5-6-10(7-14(9)18)15(19)8-11-12(16)3-2-4-13(11)17/h2-7H,8,18H2,1H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone?
1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone has a molecular weight of 294.18 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 116550897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).