2-amino-1-(4-chlorophenyl)ethanone

C8H8ClNO — CID 21637

IUPAC2-amino-1-(4-chlorophenyl)ethanone
SMILESNCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
InChIKeyKIFWACLIANOVDG-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.48
Rot. Bonds2

About 2-amino-1-(4-chlorophenyl)ethanone

2-amino-1-(4-chlorophenyl)ethanone (PubChem CID 21637) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)ethanone
PubChem CID21637
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-amino-1-(4-chlorophenyl)ethanone
SMILESNCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
InChIKeyKIFWACLIANOVDG-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bupropion
CID 444
P-Chloroacetophenone
CID 7467
Ethanone, 2-amino-1-phenyl-, hydrochloride (1:1)
CID 2723597
4'-Chloropropiophenone
CID 22697
Cathinone hydrochloride
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4-Chlorobenzamide
CID 12084
1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
3-Chloromethcathinone hydrochloride
CID 90645589
(R)-Bupropion
CID 688387
Phenacylamine
CID 11952
3-Cec
CID 90645581
2-(Tert-butylamino)-1-(3-chlorophenyl)butan-1-one
CID 3027752

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-amino-1-(4-chlorophenyl)ethanone (CID 21637) is 2-amino-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)ethanone is NCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)ethanone?
The InChIKey is KIFWACLIANOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2.
What are the key properties of 2-amino-1-(4-chlorophenyl)ethanone?
2-amino-1-(4-chlorophenyl)ethanone has a molecular weight of 169.61 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 21637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).