CID 153403326

C15H13BClNO2 — CID 153403326

IUPAC—
SMILES[B]c1cccc(NC(=O)COCc2ccccc2)c1Cl
InChIInChI=1S/C15H13BClNO2/c16-12-7-4-8-13(15(12)17)18-14(19)10-20-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyDRYWTIABZOXABE-UHFFFAOYSA-N
MW285.54 g/mol
LogP2.29
Rot. Bonds5

About CID 153403326

CID 153403326 (PubChem CID 153403326) has the molecular formula C15H13BClNO2 and a molecular weight of 285.54 g/mol.

Molecular Properties

Compound NameCID 153403326
PubChem CID153403326
Molecular FormulaC15H13BClNO2
Molecular Weight285.54 g/mol
Exact Mass285.07
IUPAC Name—
SMILES[B]c1cccc(NC(=O)COCc2ccccc2)c1Cl
InChIInChI=1S/C15H13BClNO2/c16-12-7-4-8-13(15(12)17)18-14(19)10-20-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyDRYWTIABZOXABE-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide
CID 167327397
2-(2-chlorophenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093502
N-(3-amino-2-methylphenyl)-2-[(4-chlorophenyl)methoxy]acetamide
CID 65124387
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
4-[(2-phenylmethoxyacetyl)amino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 153403326?
The IUPAC name of CID 153403326 (CID 153403326) is not available.
What is the SMILES notation for CID 153403326?
The canonical SMILES for CID 153403326 is [B]c1cccc(NC(=O)COCc2ccccc2)c1Cl.
What is the InChIKey of CID 153403326?
The InChIKey is DRYWTIABZOXABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BClNO2/c16-12-7-4-8-13(15(12)17)18-14(19)10-20-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of CID 153403326?
CID 153403326 has a molecular weight of 285.54 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153403326 is sourced from PubChem (CID 153403326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).