1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone

C16H16ClNO3 — CID 107469152

IUPAC1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)c1cccc(OC)c1N
InChIInChI=1S/C16H16ClNO3/c1-20-14-7-6-11(17)8-10(14)9-13(19)12-4-3-5-15(21-2)16(12)18/h3-8H,9,18H2,1-2H3
InChIKeyRPTASQJHVDMAPR-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.36
Rot. Bonds5

About 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone

1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone (PubChem CID 107469152) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
PubChem CID107469152
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)c1cccc(OC)c1N
InChIInChI=1S/C16H16ClNO3/c1-20-14-7-6-11(17)8-10(14)9-13(19)12-4-3-5-15(21-2)16(12)18/h3-8H,9,18H2,1-2H3
InChIKeyRPTASQJHVDMAPR-UHFFFAOYSA-N
XLogP3.36
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968572
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116597773
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 64915978
1-(2-amino-3-methoxyphenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 107469003
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 107469155
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
1-(1-benzothiophen-3-yl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968652

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone (CID 107469152) is 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone is COc1ccc(Cl)cc1CC(=O)c1cccc(OC)c1N.
What is the InChIKey of 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The InChIKey is RPTASQJHVDMAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-14-7-6-11(17)8-10(14)9-13(19)12-4-3-5-15(21-2)16(12)18/h3-8H,9,18H2,1-2H3.
What are the key properties of 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone has a molecular weight of 305.76 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 107469152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).