1-(5-amino-2-chloro-4-ethylphenyl)ethanone

C10H12ClNO — CID 131312926

IUPAC1-(5-amino-2-chloro-4-ethylphenyl)ethanone
SMILESCCc1cc(Cl)c(C(C)=O)cc1N
InChIInChI=1S/C10H12ClNO/c1-3-7-4-9(11)8(6(2)13)5-10(7)12/h4-5H,3,12H2,1-2H3
InChIKeyRSHZRTUTYSECLA-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.69
Rot. Bonds2

About 1-(5-amino-2-chloro-4-ethylphenyl)ethanone

1-(5-amino-2-chloro-4-ethylphenyl)ethanone (PubChem CID 131312926) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(5-amino-2-chloro-4-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-chloro-4-ethylphenyl)ethanone
PubChem CID131312926
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(5-amino-2-chloro-4-ethylphenyl)ethanone
SMILESCCc1cc(Cl)c(C(C)=O)cc1N
InChIInChI=1S/C10H12ClNO/c1-3-7-4-9(11)8(6(2)13)5-10(7)12/h4-5H,3,12H2,1-2H3
InChIKeyRSHZRTUTYSECLA-UHFFFAOYSA-N
XLogP2.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chloro-4-ethylphenyl)ethanone?
The IUPAC name of 1-(5-amino-2-chloro-4-ethylphenyl)ethanone (CID 131312926) is 1-(5-amino-2-chloro-4-ethylphenyl)ethanone.
What is the SMILES notation for 1-(5-amino-2-chloro-4-ethylphenyl)ethanone?
The canonical SMILES for 1-(5-amino-2-chloro-4-ethylphenyl)ethanone is CCc1cc(Cl)c(C(C)=O)cc1N.
What is the InChIKey of 1-(5-amino-2-chloro-4-ethylphenyl)ethanone?
The InChIKey is RSHZRTUTYSECLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-7-4-9(11)8(6(2)13)5-10(7)12/h4-5H,3,12H2,1-2H3.
What are the key properties of 1-(5-amino-2-chloro-4-ethylphenyl)ethanone?
1-(5-amino-2-chloro-4-ethylphenyl)ethanone has a molecular weight of 197.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chloro-4-ethylphenyl)ethanone is sourced from PubChem (CID 131312926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).