CID 71438252

C9H10AsN2O3 — CID 71438252

IUPAC—
SMILESNC(=O)CNC(=O)c1ccc([AsH]=O)cc1
InChIInChI=1S/C9H10AsN2O3/c11-8(13)5-12-9(14)6-1-3-7(10-15)4-2-6/h1-4,10H,5H2,(H2,11,13)(H,12,14)
InChIKeyJVMLYNIBKQXEKT-UHFFFAOYSA-N
MW269.11 g/mol
LogP-1.69
Rot. Bonds4

About CID 71438252

CID 71438252 (PubChem CID 71438252) has the molecular formula C9H10AsN2O3 and a molecular weight of 269.11 g/mol.

Molecular Properties

Compound NameCID 71438252
PubChem CID71438252
Molecular FormulaC9H10AsN2O3
Molecular Weight269.11 g/mol
Exact Mass268.99
IUPAC Name—
SMILESNC(=O)CNC(=O)c1ccc([AsH]=O)cc1
InChIInChI=1S/C9H10AsN2O3/c11-8(13)5-12-9(14)6-1-3-7(10-15)4-2-6/h1-4,10H,5H2,(H2,11,13)(H,12,14)
InChIKeyJVMLYNIBKQXEKT-UHFFFAOYSA-N
XLogP-1.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 5-1.69
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

N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110473761
N-(2-amino-2-oxoethyl)-4-pyridin-2-ylbenzamide
CID 110473912
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide
CID 89417127
4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide
CID 115636455
N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide
CID 69490721
N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide
CID 166953565

Frequently Asked Questions

What is the IUPAC name of CID 71438252?
The IUPAC name of CID 71438252 (CID 71438252) is not available.
What is the SMILES notation for CID 71438252?
The canonical SMILES for CID 71438252 is NC(=O)CNC(=O)c1ccc([AsH]=O)cc1.
What is the InChIKey of CID 71438252?
The InChIKey is JVMLYNIBKQXEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10AsN2O3/c11-8(13)5-12-9(14)6-1-3-7(10-15)4-2-6/h1-4,10H,5H2,(H2,11,13)(H,12,14).
What are the key properties of CID 71438252?
CID 71438252 has a molecular weight of 269.11 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71438252 is sourced from PubChem (CID 71438252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).