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

C9H10ClNO2 — CID 171022302

IUPAC1-(4-amino-2-chloro-3-methoxyphenyl)ethanone
SMILESCOc1c(N)ccc(C(C)=O)c1Cl
InChIInChI=1S/C9H10ClNO2/c1-5(12)6-3-4-7(11)9(13-2)8(6)10/h3-4H,11H2,1-2H3
InChIKeyWCZYNMUZOJVGAT-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.13
Rot. Bonds2

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

1-(4-amino-2-chloro-3-methoxyphenyl)ethanone (PubChem CID 171022302) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 1-(4-amino-2-chloro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-chloro-3-methoxyphenyl)ethanone
PubChem CID171022302
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name1-(4-amino-2-chloro-3-methoxyphenyl)ethanone
SMILESCOc1c(N)ccc(C(C)=O)c1Cl
InChIInChI=1S/C9H10ClNO2/c1-5(12)6-3-4-7(11)9(13-2)8(6)10/h3-4H,11H2,1-2H3
InChIKeyWCZYNMUZOJVGAT-UHFFFAOYSA-N
XLogP2.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-amino-3-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171027885
1-(4-chloro-2,3-dimethoxyphenyl)ethanone
CID 84680566
1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;ethane
CID 143401300
2-chloro-3-methoxyterephthalic acid
CID 126601706
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130275786
1-(3-amino-2-chloro-4-hydroxyphenyl)ethanone
CID 154212695
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
1-(3-chloro-4-methoxy-2-methylphenyl)ethanone
CID 171007729
1-(6-aminopyren-1-yl)ethanone
CID 71370113
1-[2-chloro-4-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 118999965

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chloro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-2-chloro-3-methoxyphenyl)ethanone (CID 171022302) is 1-(4-amino-2-chloro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-2-chloro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-2-chloro-3-methoxyphenyl)ethanone is COc1c(N)ccc(C(C)=O)c1Cl.
What is the InChIKey of 1-(4-amino-2-chloro-3-methoxyphenyl)ethanone?
The InChIKey is WCZYNMUZOJVGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-5(12)6-3-4-7(11)9(13-2)8(6)10/h3-4H,11H2,1-2H3.
What are the key properties of 1-(4-amino-2-chloro-3-methoxyphenyl)ethanone?
1-(4-amino-2-chloro-3-methoxyphenyl)ethanone has a molecular weight of 199.64 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chloro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 171022302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).