[3-(cyclopentylcarbamoyl)phenyl]borinic acid

C12H16BNO2 — CID 142459248

IUPAC[3-(cyclopentylcarbamoyl)phenyl]borinic acid
SMILESO=C(NC1CCCC1)c1cccc(BO)c1
InChIInChI=1S/C12H16BNO2/c15-12(14-11-6-1-2-7-11)9-4-3-5-10(8-9)13-16/h3-5,8,11,13,16H,1-2,6-7H2,(H,14,15)
InChIKeyHYUONFIOROCZRZ-UHFFFAOYSA-N
MW217.08 g/mol
LogP0.33
Rot. Bonds3

About [3-(cyclopentylcarbamoyl)phenyl]borinic acid

[3-(cyclopentylcarbamoyl)phenyl]borinic acid (PubChem CID 142459248) has the molecular formula C12H16BNO2 and a molecular weight of 217.08 g/mol. Its IUPAC name is [3-(cyclopentylcarbamoyl)phenyl]borinic acid.

Molecular Properties

Compound Name[3-(cyclopentylcarbamoyl)phenyl]borinic acid
PubChem CID142459248
Molecular FormulaC12H16BNO2
Molecular Weight217.08 g/mol
Exact Mass217.13
IUPAC Name[3-(cyclopentylcarbamoyl)phenyl]borinic acid
SMILESO=C(NC1CCCC1)c1cccc(BO)c1
InChIInChI=1S/C12H16BNO2/c15-12(14-11-6-1-2-7-11)9-4-3-5-10(8-9)13-16/h3-5,8,11,13,16H,1-2,6-7H2,(H,14,15)
InChIKeyHYUONFIOROCZRZ-UHFFFAOYSA-N
XLogP0.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.08
LogP ≤ 50.33
H-Bond Donors ≤ 52
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-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
3-(cyanomethyl)-N-cyclopentylbenzamide
CID 82178994
3-N-tert-butyl-1-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109055977
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
N-cyclohexyl-3-(methoxyamino)benzamide
CID 142229646
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202
benzene-1,3-dicarbonyl chloride;cyclohexanamine;1-N,3-N-dicyclohexylbenzene-1,3-dicarboxamide
CID 157227536
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylcarbamoyl)phenyl]borinic acid?
The IUPAC name of [3-(cyclopentylcarbamoyl)phenyl]borinic acid (CID 142459248) is [3-(cyclopentylcarbamoyl)phenyl]borinic acid.
What is the SMILES notation for [3-(cyclopentylcarbamoyl)phenyl]borinic acid?
The canonical SMILES for [3-(cyclopentylcarbamoyl)phenyl]borinic acid is O=C(NC1CCCC1)c1cccc(BO)c1.
What is the InChIKey of [3-(cyclopentylcarbamoyl)phenyl]borinic acid?
The InChIKey is HYUONFIOROCZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BNO2/c15-12(14-11-6-1-2-7-11)9-4-3-5-10(8-9)13-16/h3-5,8,11,13,16H,1-2,6-7H2,(H,14,15).
What are the key properties of [3-(cyclopentylcarbamoyl)phenyl]borinic acid?
[3-(cyclopentylcarbamoyl)phenyl]borinic acid has a molecular weight of 217.08 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylcarbamoyl)phenyl]borinic acid is sourced from PubChem (CID 142459248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).