2-amino-2-phenylacetyl chloride;hydron;chloride

C8H9Cl2NO — CID 51056098

IUPAC2-amino-2-phenylacetyl chloride;hydron;chloride
SMILESNC(C(=O)Cl)c1ccccc1.[Cl-].[H+]
InChIInChI=1S/C8H8ClNO.ClH/c9-8(11)7(10)6-4-2-1-3-5-6;/h1-5,7H,10H2;1H
InChIKeyGVVFCAFBYHYGEE-UHFFFAOYSA-N
MW206.07 g/mol
LogP-1.43
Rot. Bonds2

About 2-amino-2-phenylacetyl chloride;hydron;chloride

2-amino-2-phenylacetyl chloride;hydron;chloride (PubChem CID 51056098) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 2-amino-2-phenylacetyl chloride;hydron;chloride.

Molecular Properties

Compound Name2-amino-2-phenylacetyl chloride;hydron;chloride
PubChem CID51056098
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name2-amino-2-phenylacetyl chloride;hydron;chloride
SMILESNC(C(=O)Cl)c1ccccc1.[Cl-].[H+]
InChIInChI=1S/C8H8ClNO.ClH/c9-8(11)7(10)6-4-2-1-3-5-6;/h1-5,7H,10H2;1H
InChIKeyGVVFCAFBYHYGEE-UHFFFAOYSA-N
XLogP-1.43
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 ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-2-phenylacetic acid;carbamic acid
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(2-chloro-2-oxo-1-phenylethyl)azanium chloride
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ethyl 2-amino-2-phenylacetate chloride
CID 3083657
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
2-hydrazinyl-2-phenylacetyl chloride
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2-amino-1-(5-aminopyrazol-1-yl)-2-phenylethanone
CID 110837869

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylacetyl chloride;hydron;chloride?
The IUPAC name of 2-amino-2-phenylacetyl chloride;hydron;chloride (CID 51056098) is 2-amino-2-phenylacetyl chloride;hydron;chloride.
What is the SMILES notation for 2-amino-2-phenylacetyl chloride;hydron;chloride?
The canonical SMILES for 2-amino-2-phenylacetyl chloride;hydron;chloride is NC(C(=O)Cl)c1ccccc1.[Cl-].[H+].
What is the InChIKey of 2-amino-2-phenylacetyl chloride;hydron;chloride?
The InChIKey is GVVFCAFBYHYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.ClH/c9-8(11)7(10)6-4-2-1-3-5-6;/h1-5,7H,10H2;1H.
What are the key properties of 2-amino-2-phenylacetyl chloride;hydron;chloride?
2-amino-2-phenylacetyl chloride;hydron;chloride has a molecular weight of 206.07 g/mol, XLogP of -1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylacetyl chloride;hydron;chloride is sourced from PubChem (CID 51056098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).