5-cyano-2-fluoro-N-propan-2-ylbenzamide

C11H11FN2O — CID 83405153

IUPAC5-cyano-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(C#N)ccc1F
InChIInChI=1S/C11H11FN2O/c1-7(2)14-11(15)9-5-8(6-13)3-4-10(9)12/h3-5,7H,1-2H3,(H,14,15)
InChIKeyBQOWNNSYUPBNFP-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.84
Rot. Bonds2

About 5-cyano-2-fluoro-N-propan-2-ylbenzamide

5-cyano-2-fluoro-N-propan-2-ylbenzamide (PubChem CID 83405153) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-cyano-2-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-cyano-2-fluoro-N-propan-2-ylbenzamide
PubChem CID83405153
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-cyano-2-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(C#N)ccc1F
InChIInChI=1S/C11H11FN2O/c1-7(2)14-11(15)9-5-8(6-13)3-4-10(9)12/h3-5,7H,1-2H3,(H,14,15)
InChIKeyBQOWNNSYUPBNFP-UHFFFAOYSA-N
XLogP1.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyano-2-fluoro-N-[1-[[4-(2-hydroxypropan-2-yloxy)-3,3-dimethylbutanoyl]amino]propan-2-yl]benzamide
CID 154966981
5-[benzyl-(4-cyanophenyl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 46182359
4-cyano-2-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 7393089
5-cyano-2-fluorobenzamide;hydrochloride
CID 165153570
2-(4-cyano-2-fluoro-N-methylanilino)-N-propan-2-ylacetamide
CID 55005001
5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 62090270
2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide
CID 139030542
3-benzoyl-4-fluorobenzonitrile
CID 83393087
5-bromo-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 55135191
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide
CID 71012431
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzamide
CID 60816110
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 5-cyano-2-fluoro-N-propan-2-ylbenzamide (CID 83405153) is 5-cyano-2-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-cyano-2-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 5-cyano-2-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(C#N)ccc1F.
What is the InChIKey of 5-cyano-2-fluoro-N-propan-2-ylbenzamide?
The InChIKey is BQOWNNSYUPBNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7(2)14-11(15)9-5-8(6-13)3-4-10(9)12/h3-5,7H,1-2H3,(H,14,15).
What are the key properties of 5-cyano-2-fluoro-N-propan-2-ylbenzamide?
5-cyano-2-fluoro-N-propan-2-ylbenzamide has a molecular weight of 206.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 83405153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).