CID 167532226

C10H12BFNO — CID 167532226

IUPAC—
SMILESCCc1ccc(C(=O)NC)cc1F.[B]
InChIInChI=1S/C10H12FNO.B/c1-3-7-4-5-8(6-9(7)11)10(13)12-2;/h4-6H,3H2,1-2H3,(H,12,13);
InChIKeyLSDBHMOVUMUHNH-UHFFFAOYSA-N
MW192.02 g/mol
LogP1.37
Rot. Bonds2

About CID 167532226

CID 167532226 (PubChem CID 167532226) has the molecular formula C10H12BFNO and a molecular weight of 192.02 g/mol.

Molecular Properties

Compound NameCID 167532226
PubChem CID167532226
Molecular FormulaC10H12BFNO
Molecular Weight192.02 g/mol
Exact Mass192.10
IUPAC Name—
SMILESCCc1ccc(C(=O)NC)cc1F.[B]
InChIInChI=1S/C10H12FNO.B/c1-3-7-4-5-8(6-9(7)11)10(13)12-2;/h4-6H,3H2,1-2H3,(H,12,13);
InChIKeyLSDBHMOVUMUHNH-UHFFFAOYSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.02
LogP ≤ 51.37
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

3-fluoro-N-methyl-4-methylsulfanylbenzamide
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3-fluoro-4-formyl-N-methylbenzamide
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4-(2-bromoacetyl)-3-fluoro-N-methylbenzamide
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4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride
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methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
CID 86683687
4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide
CID 28620047
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156732
[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
CID 165120813
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270

Frequently Asked Questions

What is the IUPAC name of CID 167532226?
The IUPAC name of CID 167532226 (CID 167532226) is not available.
What is the SMILES notation for CID 167532226?
The canonical SMILES for CID 167532226 is CCc1ccc(C(=O)NC)cc1F.[B].
What is the InChIKey of CID 167532226?
The InChIKey is LSDBHMOVUMUHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO.B/c1-3-7-4-5-8(6-9(7)11)10(13)12-2;/h4-6H,3H2,1-2H3,(H,12,13);.
What are the key properties of CID 167532226?
CID 167532226 has a molecular weight of 192.02 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167532226 is sourced from PubChem (CID 167532226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).