CID 69075658

C16H16BN2O4 — CID 69075658

IUPAC—
SMILESNC(=O)Cc1cccc(O[B]Oc2cccc(CC(N)=O)c2)c1
InChIInChI=1S/C16H16BN2O4/c18-15(20)9-11-3-1-5-13(7-11)22-17-23-14-6-2-4-12(8-14)10-16(19)21/h1-8H,9-10H2,(H2,18,20)(H2,19,21)
InChIKeyJUZRXULVKSCQSU-UHFFFAOYSA-N
MW311.13 g/mol
LogP0.73
Rot. Bonds8

About CID 69075658

CID 69075658 (PubChem CID 69075658) has the molecular formula C16H16BN2O4 and a molecular weight of 311.13 g/mol.

Molecular Properties

Compound NameCID 69075658
PubChem CID69075658
Molecular FormulaC16H16BN2O4
Molecular Weight311.13 g/mol
Exact Mass311.12
IUPAC Name—
SMILESNC(=O)Cc1cccc(O[B]Oc2cccc(CC(N)=O)c2)c1
InChIInChI=1S/C16H16BN2O4/c18-15(20)9-11-3-1-5-13(7-11)22-17-23-14-6-2-4-12(8-14)10-16(19)21/h1-8H,9-10H2,(H2,18,20)(H2,19,21)
InChIKeyJUZRXULVKSCQSU-UHFFFAOYSA-N
XLogP0.73
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
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CID 67530586
2-[3-(bromomethyl)phenyl]acetamide
CID 151051771
2-(3-bromophenyl)acetamide
CID 11736027
2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide
CID 60605202
CID 58539714
CID 58539714
CID 66714636
CID 66714636
[3-(2-amino-2-oxoethyl)phenyl]methanesulfinic acid
CID 174767314
2-(3-methylsulfanylphenyl)acetamide
CID 55254407
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
2-[3-[(E)-2-phenylethenyl]phenyl]acetamide
CID 69082442

Frequently Asked Questions

What is the IUPAC name of CID 69075658?
The IUPAC name of CID 69075658 (CID 69075658) is not available.
What is the SMILES notation for CID 69075658?
The canonical SMILES for CID 69075658 is NC(=O)Cc1cccc(O[B]Oc2cccc(CC(N)=O)c2)c1.
What is the InChIKey of CID 69075658?
The InChIKey is JUZRXULVKSCQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BN2O4/c18-15(20)9-11-3-1-5-13(7-11)22-17-23-14-6-2-4-12(8-14)10-16(19)21/h1-8H,9-10H2,(H2,18,20)(H2,19,21).
What are the key properties of CID 69075658?
CID 69075658 has a molecular weight of 311.13 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69075658 is sourced from PubChem (CID 69075658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).