2-amino-1-(3-chloro-4-methoxyphenyl)ethanone

C9H10ClNO2 — CID 79002249

IUPAC2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)cc1Cl
InChIInChI=1S/C9H10ClNO2/c1-13-9-3-2-6(4-7(9)10)8(12)5-11/h2-4H,5,11H2,1H3
InChIKeyWRQGNWAFPZZJCK-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.49
Rot. Bonds3

About 2-amino-1-(3-chloro-4-methoxyphenyl)ethanone

2-amino-1-(3-chloro-4-methoxyphenyl)ethanone (PubChem CID 79002249) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
PubChem CID79002249
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)cc1Cl
InChIInChI=1S/C9H10ClNO2/c1-13-9-3-2-6(4-7(9)10)8(12)5-11/h2-4H,5,11H2,1H3
InChIKeyWRQGNWAFPZZJCK-UHFFFAOYSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-chloro-4-methoxyphenyl)-3-methylsulfanylpropan-1-one
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4-(3-chloro-4-methoxyphenyl)-2,4-dioxobutanoic acid
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1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
2-[[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-methylamino]acetamide
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2-amino-1-(3-tert-butyl-4-methoxyphenyl)ethanone
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2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-chloro-4-methoxyphenyl)ethanone (CID 79002249) is 2-amino-1-(3-chloro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN)cc1Cl.
What is the InChIKey of 2-amino-1-(3-chloro-4-methoxyphenyl)ethanone?
The InChIKey is WRQGNWAFPZZJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-13-9-3-2-6(4-7(9)10)8(12)5-11/h2-4H,5,11H2,1H3.
What are the key properties of 2-amino-1-(3-chloro-4-methoxyphenyl)ethanone?
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone has a molecular weight of 199.64 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 79002249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).