CID 146983467

C14H11BFNO — CID 146983467

IUPAC—
SMILES[B]c1ccc(C)c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H11BFNO/c1-9-2-3-10(15)8-13(9)14(18)17-12-6-4-11(16)5-7-12/h2-8H,1H3,(H,17,18)
InChIKeyCEBNAELEDZIOJU-UHFFFAOYSA-N
MW239.06 g/mol
LogP2.18
Rot. Bonds2

About CID 146983467

CID 146983467 (PubChem CID 146983467) has the molecular formula C14H11BFNO and a molecular weight of 239.06 g/mol.

Molecular Properties

Compound NameCID 146983467
PubChem CID146983467
Molecular FormulaC14H11BFNO
Molecular Weight239.06 g/mol
Exact Mass239.09
IUPAC Name—
SMILES[B]c1ccc(C)c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H11BFNO/c1-9-2-3-10(15)8-13(9)14(18)17-12-6-4-11(16)5-7-12/h2-8H,1H3,(H,17,18)
InChIKeyCEBNAELEDZIOJU-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 52.18
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

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N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
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2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
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N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
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5-[(4-fluorophenyl)carbamoylamino]-2-methylbenzoic acid
CID 63653506
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of CID 146983467?
The IUPAC name of CID 146983467 (CID 146983467) is not available.
What is the SMILES notation for CID 146983467?
The canonical SMILES for CID 146983467 is [B]c1ccc(C)c(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of CID 146983467?
The InChIKey is CEBNAELEDZIOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BFNO/c1-9-2-3-10(15)8-13(9)14(18)17-12-6-4-11(16)5-7-12/h2-8H,1H3,(H,17,18).
What are the key properties of CID 146983467?
CID 146983467 has a molecular weight of 239.06 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146983467 is sourced from PubChem (CID 146983467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).