CID 164856832

C9H10BNO — CID 164856832

IUPAC—
SMILES[B]c1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C9H10BNO/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKeyVMFOQCOSGUIRKH-UHFFFAOYSA-N
MW159.00 g/mol
LogP0.75
Rot. Bonds1

About CID 164856832

CID 164856832 (PubChem CID 164856832) has the molecular formula C9H10BNO and a molecular weight of 159.00 g/mol.

Molecular Properties

Compound NameCID 164856832
PubChem CID164856832
Molecular FormulaC9H10BNO
Molecular Weight159.00 g/mol
Exact Mass159.09
IUPAC Name—
SMILES[B]c1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C9H10BNO/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKeyVMFOQCOSGUIRKH-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.00
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 22090216
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N-(2,3,4,5-tetramethylphenyl)acetamide
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N-(4-cyano-2,5-dimethylphenyl)acetamide
CID 10910295
N-[5-(dibutylamino)-2-methylphenyl]acetamide
CID 148976423
N-[5-(1,3-dioxan-2-yl)-2-methylphenyl]acetamide
CID 100818174
N-[5-(hexylamino)-2-methylphenyl]acetamide
CID 43735857
methyl 2-(3-acetamido-4-methylanilino)propanoate
CID 66171717
N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide
CID 60536365
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of CID 164856832?
The IUPAC name of CID 164856832 (CID 164856832) is not available.
What is the SMILES notation for CID 164856832?
The canonical SMILES for CID 164856832 is [B]c1ccc(C)c(NC(C)=O)c1.
What is the InChIKey of CID 164856832?
The InChIKey is VMFOQCOSGUIRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BNO/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of CID 164856832?
CID 164856832 has a molecular weight of 159.00 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164856832 is sourced from PubChem (CID 164856832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).