CID 170738774

C9H10BNO2 — CID 170738774

IUPAC—
SMILES[B]Oc1ccc(C)cc1NC(C)=O
InChIInChI=1S/C9H10BNO2/c1-6-3-4-9(13-10)8(5-6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKeyVQBLTERXWXLMRF-UHFFFAOYSA-N
MW175.00 g/mol
LogP1.42
Rot. Bonds2

About CID 170738774

CID 170738774 (PubChem CID 170738774) has the molecular formula C9H10BNO2 and a molecular weight of 175.00 g/mol.

Molecular Properties

Compound NameCID 170738774
PubChem CID170738774
Molecular FormulaC9H10BNO2
Molecular Weight175.00 g/mol
Exact Mass175.08
IUPAC Name—
SMILES[B]Oc1ccc(C)cc1NC(C)=O
InChIInChI=1S/C9H10BNO2/c1-6-3-4-9(13-10)8(5-6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKeyVQBLTERXWXLMRF-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.00
LogP ≤ 51.42
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-(4-methyl-2-propan-2-yloxyphenyl)acetamide
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ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
amino 2-acetamido-4-methylbenzoate
CID 175190459
N-[2-[2-(4-methoxyphenyl)-2-oxoethoxy]-5-methylphenyl]acetamide
CID 2728500
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 40917712
methyl 3-(2-methoxy-5-methylanilino)but-2-enoate
CID 156769346
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
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N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969

Frequently Asked Questions

What is the IUPAC name of CID 170738774?
The IUPAC name of CID 170738774 (CID 170738774) is not available.
What is the SMILES notation for CID 170738774?
The canonical SMILES for CID 170738774 is [B]Oc1ccc(C)cc1NC(C)=O.
What is the InChIKey of CID 170738774?
The InChIKey is VQBLTERXWXLMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BNO2/c1-6-3-4-9(13-10)8(5-6)11-7(2)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of CID 170738774?
CID 170738774 has a molecular weight of 175.00 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170738774 is sourced from PubChem (CID 170738774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).