(3-carbamoylphenyl)-methylborinic acid

C8H10BNO2 — CID 142939435

IUPAC(3-carbamoylphenyl)-methylborinic acid
SMILESCB(O)c1cccc(C(N)=O)c1
InChIInChI=1S/C8H10BNO2/c1-9(12)7-4-2-3-6(5-7)8(10)11/h2-5,12H,1H3,(H2,10,11)
InChIKeyUVSHDTAKMLGDOS-UHFFFAOYSA-N
MW162.98 g/mol
LogP-0.39
Rot. Bonds2

About (3-carbamoylphenyl)-methylborinic acid

(3-carbamoylphenyl)-methylborinic acid (PubChem CID 142939435) has the molecular formula C8H10BNO2 and a molecular weight of 162.98 g/mol. Its IUPAC name is (3-carbamoylphenyl)-methylborinic acid.

Molecular Properties

Compound Name(3-carbamoylphenyl)-methylborinic acid
PubChem CID142939435
Molecular FormulaC8H10BNO2
Molecular Weight162.98 g/mol
Exact Mass163.08
IUPAC Name(3-carbamoylphenyl)-methylborinic acid
SMILESCB(O)c1cccc(C(N)=O)c1
InChIInChI=1S/C8H10BNO2/c1-9(12)7-4-2-3-6(5-7)8(10)11/h2-5,12H,1H3,(H2,10,11)
InChIKeyUVSHDTAKMLGDOS-UHFFFAOYSA-N
XLogP-0.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.98
LogP ≤ 5-0.39
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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CID 153486649
CID 153486649
5-methylnaphthalene-2-carboxamide
CID 89351493
3-(2-methylpropyl)benzamide
CID 23130390
ethane;3-(methylamino)benzamide
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argon;ethane;3-methylbenzamide;molecular hydrogen
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3-[(1-amino-2-methylpropylidene)amino]benzamide
CID 107811864
3-(2-aminopropanoylamino)benzamide
CID 61258270
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl)-methylborinic acid?
The IUPAC name of (3-carbamoylphenyl)-methylborinic acid (CID 142939435) is (3-carbamoylphenyl)-methylborinic acid.
What is the SMILES notation for (3-carbamoylphenyl)-methylborinic acid?
The canonical SMILES for (3-carbamoylphenyl)-methylborinic acid is CB(O)c1cccc(C(N)=O)c1.
What is the InChIKey of (3-carbamoylphenyl)-methylborinic acid?
The InChIKey is UVSHDTAKMLGDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO2/c1-9(12)7-4-2-3-6(5-7)8(10)11/h2-5,12H,1H3,(H2,10,11).
What are the key properties of (3-carbamoylphenyl)-methylborinic acid?
(3-carbamoylphenyl)-methylborinic acid has a molecular weight of 162.98 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl)-methylborinic acid is sourced from PubChem (CID 142939435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).