1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone

C14H12ClNO2 — CID 82133162

IUPAC1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cccc(Cl)c2)c(N)c1
InChIInChI=1S/C14H12ClNO2/c1-9(17)10-5-6-14(13(16)7-10)18-12-4-2-3-11(15)8-12/h2-8H,16H2,1H3
InChIKeyCMJIZOXTZPJVIC-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.92
Rot. Bonds3

About 1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone

1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone (PubChem CID 82133162) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
PubChem CID82133162
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cccc(Cl)c2)c(N)c1
InChIInChI=1S/C14H12ClNO2/c1-9(17)10-5-6-14(13(16)7-10)18-12-4-2-3-11(15)8-12/h2-8H,16H2,1H3
InChIKeyCMJIZOXTZPJVIC-UHFFFAOYSA-N
XLogP3.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.92
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-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone
CID 82132319
1-(3-amino-4-phenoxyphenyl)ethanone
CID 82128259
4-acetyl-2-(3-chlorophenoxy)benzonitrile
CID 146268738
N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
CID 26189302
1-[3-amino-4-(2-bromo-4-chlorophenoxy)phenyl]ethanone
CID 170632658
1-[3-amino-4-[(3-chlorophenyl)methoxy]phenyl]ethanone
CID 82064162
1-[3-(2-aminophenoxy)phenyl]ethanone
CID 154186967
methyl 3-(2-amino-4-chlorophenoxy)benzoate
CID 26189305
1-[3-amino-4-[2-(4-chlorophenoxy)ethoxy]phenyl]ethanone
CID 93212295
3-amino-4-(4-chloro-2-methylphenoxy)benzamide
CID 43448530
3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide
CID 82993412
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone (CID 82133162) is 1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2cccc(Cl)c2)c(N)c1.
What is the InChIKey of 1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone?
The InChIKey is CMJIZOXTZPJVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-9(17)10-5-6-14(13(16)7-10)18-12-4-2-3-11(15)8-12/h2-8H,16H2,1H3.
What are the key properties of 1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone?
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone has a molecular weight of 261.71 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone is sourced from PubChem (CID 82133162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).