CID 89283971

C12H11BF5NO2S — CID 89283971

IUPAC—
SMILES[B]CC(=O)c1cc(NC(=O)C2CC2)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H11BF5NO2S/c13-6-11(20)8-3-9(19-12(21)7-1-2-7)5-10(4-8)22(14,15,16,17)18/h3-5,7H,1-2,6H2,(H,19,21)
InChIKeyFLJBVAGNOVGDDU-UHFFFAOYSA-N
MW339.09 g/mol
LogP4.46
Rot. Bonds5

About CID 89283971

CID 89283971 (PubChem CID 89283971) has the molecular formula C12H11BF5NO2S and a molecular weight of 339.09 g/mol.

Molecular Properties

Compound NameCID 89283971
PubChem CID89283971
Molecular FormulaC12H11BF5NO2S
Molecular Weight339.09 g/mol
Exact Mass339.05
IUPAC Name—
SMILES[B]CC(=O)c1cc(NC(=O)C2CC2)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H11BF5NO2S/c13-6-11(20)8-3-9(19-12(21)7-1-2-7)5-10(4-8)22(14,15,16,17)18/h3-5,7H,1-2,6H2,(H,19,21)
InChIKeyFLJBVAGNOVGDDU-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.09
LogP ≤ 54.46
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

N-[3-acetyl-5-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropanecarboxamide
CID 58137420
2-bromo-1-[3-(cyclopropylamino)-5-(pentafluoro-λ6-sulfanyl)phenyl]ethanone
CID 87211205
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide
CID 9466178
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
N-[3,5-bis(trifluoromethyl)phenyl]-4-(cyclopropanecarbonylamino)benzamide
CID 29204823
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[3,5-bis[(4-propylcyclohexanecarbonyl)amino]phenyl]-4-propylcyclohexane-1-carboxamide;methane
CID 159362022
5-(piperidine-4-carbonylamino)benzene-1,3-dicarboxamide
CID 61276320
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677

Frequently Asked Questions

What is the IUPAC name of CID 89283971?
The IUPAC name of CID 89283971 (CID 89283971) is not available.
What is the SMILES notation for CID 89283971?
The canonical SMILES for CID 89283971 is [B]CC(=O)c1cc(NC(=O)C2CC2)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of CID 89283971?
The InChIKey is FLJBVAGNOVGDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BF5NO2S/c13-6-11(20)8-3-9(19-12(21)7-1-2-7)5-10(4-8)22(14,15,16,17)18/h3-5,7H,1-2,6H2,(H,19,21).
What are the key properties of CID 89283971?
CID 89283971 has a molecular weight of 339.09 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89283971 is sourced from PubChem (CID 89283971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).