CID 161042703

C7H5BF2NO — CID 161042703

IUPAC—
SMILESNC(=O)c1c(F)cccc1F.[B]
InChIInChI=1S/C7H5F2NO.B/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H2,10,11);
InChIKeyUBBXGRDPFOKQDO-UHFFFAOYSA-N
MW167.93 g/mol
LogP0.68
Rot. Bonds1

About CID 161042703

CID 161042703 (PubChem CID 161042703) has the molecular formula C7H5BF2NO and a molecular weight of 167.93 g/mol.

Molecular Properties

Compound NameCID 161042703
PubChem CID161042703
Molecular FormulaC7H5BF2NO
Molecular Weight167.93 g/mol
Exact Mass168.04
IUPAC Name—
SMILESNC(=O)c1c(F)cccc1F.[B]
InChIInChI=1S/C7H5F2NO.B/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H2,10,11);
InChIKeyUBBXGRDPFOKQDO-UHFFFAOYSA-N
XLogP0.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.93
LogP ≤ 50.68
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

2-fluoro-6-hydroxybenzamide
CID 15219200
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
2-fluoro-6-pyridin-4-ylbenzamide
CID 46315506
carbamoyl 2,6-difluorobenzoate
CID 175511176
2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide
CID 140560000
2-fluoro-6-(3-oxobutan-2-yloxy)benzamide
CID 62032914
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
4-(2-carbamoyl-3-fluoroanilino)benzoic acid
CID 79513280
[(2,6-difluorobenzoyl)amino]thiourea
CID 65217088
4-chloro-2,6-difluorobenzamide
CID 22478130
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-fluorobenzamide;dihydrochloride
CID 22563899

Frequently Asked Questions

What is the IUPAC name of CID 161042703?
The IUPAC name of CID 161042703 (CID 161042703) is not available.
What is the SMILES notation for CID 161042703?
The canonical SMILES for CID 161042703 is NC(=O)c1c(F)cccc1F.[B].
What is the InChIKey of CID 161042703?
The InChIKey is UBBXGRDPFOKQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO.B/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H2,10,11);.
What are the key properties of CID 161042703?
CID 161042703 has a molecular weight of 167.93 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161042703 is sourced from PubChem (CID 161042703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).