2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride

C9H12AsClN2O2 — CID 161125052

IUPAC2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1ccc([As]=O)cc1
InChIInChI=1S/C9H11AsN2O2.ClH/c11-5-9(13)12-6-7-1-3-8(10-14)4-2-7;/h1-4H,5-6,11H2,(H,12,13);1H
InChIKeyULLKGBWPEXDZLH-UHFFFAOYSA-N
MW290.58 g/mol
LogP-0.64
Rot. Bonds4

About 2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride

2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride (PubChem CID 161125052) has the molecular formula C9H12AsClN2O2 and a molecular weight of 290.58 g/mol. Its IUPAC name is 2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride
PubChem CID161125052
Molecular FormulaC9H12AsClN2O2
Molecular Weight290.58 g/mol
Exact Mass289.98
IUPAC Name2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1ccc([As]=O)cc1
InChIInChI=1S/C9H11AsN2O2.ClH/c11-5-9(13)12-6-7-1-3-8(10-14)4-2-7;/h1-4H,5-6,11H2,(H,12,13);1H
InChIKeyULLKGBWPEXDZLH-UHFFFAOYSA-N
XLogP-0.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.58
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(4-sulfanylphenyl)methyl]acetamide
CID 134312272
4-[[(2-aminoacetyl)amino]methyl]benzoic acid
CID 25270511
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119277633
3-[(2-aminoacetyl)amino]-N-benzylpropanamide;hydrochloride
CID 119310950
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
2-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]acetamide
CID 110477641
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide
CID 96676289

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride (CID 161125052) is 2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride is Cl.NCC(=O)NCc1ccc([As]=O)cc1.
What is the InChIKey of 2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride?
The InChIKey is ULLKGBWPEXDZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11AsN2O2.ClH/c11-5-9(13)12-6-7-1-3-8(10-14)4-2-7;/h1-4H,5-6,11H2,(H,12,13);1H.
What are the key properties of 2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride?
2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride has a molecular weight of 290.58 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-arsorosophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 161125052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).