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

C8H9Cl2NO — CID 2798211

IUPAC2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H
InChIKeyOVKMQHKVUWBLSV-UHFFFAOYSA-N
MW206.07 g/mol
LogP1.90
Rot. Bonds2

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

2-amino-1-(4-chlorophenyl)ethanone;hydrochloride (PubChem CID 2798211) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 2-amino-1-(4-chlorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
PubChem CID2798211
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H
InChIKeyOVKMQHKVUWBLSV-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[4-(aminomethyl)phenyl]-2-(4-chlorophenyl)ethanone;hydrochloride
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2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride
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N-(2-aminoethyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
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2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride
CID 71313244
4-[4-(2-aminoacetyl)phenyl]benzoic acid
CID 170860582
3-(4-chlorophenyl)-3-oxopropanal
CID 10442356
2-amino-1-(4-ethylphenyl)ethanone
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2-amino-1-(4-nitrosophenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorophenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-chlorophenyl)ethanone;hydrochloride (CID 2798211) is 2-amino-1-(4-chlorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-chlorophenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-chlorophenyl)ethanone;hydrochloride is Cl.NCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-1-(4-chlorophenyl)ethanone;hydrochloride?
The InChIKey is OVKMQHKVUWBLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H.
What are the key properties of 2-amino-1-(4-chlorophenyl)ethanone;hydrochloride?
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride has a molecular weight of 206.07 g/mol, XLogP of 1.90, 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;hydrochloride is sourced from PubChem (CID 2798211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).