3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide

C15H12F2N2OS — CID 89483576

IUPAC3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide
SMILESCC(C)(C#N)c1c(F)ccc(C(=O)Nc2cccs2)c1F
InChIInChI=1S/C15H12F2N2OS/c1-15(2,8-18)12-10(16)6-5-9(13(12)17)14(20)19-11-4-3-7-21-11/h3-7H,1-2H3,(H,19,20)
InChIKeyGECBIOBAZFRYCB-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.08
Rot. Bonds3

About 3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide

3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide (PubChem CID 89483576) has the molecular formula C15H12F2N2OS and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide.

Molecular Properties

Compound Name3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide
PubChem CID89483576
Molecular FormulaC15H12F2N2OS
Molecular Weight306.34 g/mol
Exact Mass306.06
IUPAC Name3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide
SMILESCC(C)(C#N)c1c(F)ccc(C(=O)Nc2cccs2)c1F
InChIInChI=1S/C15H12F2N2OS/c1-15(2,8-18)12-10(16)6-5-9(13(12)17)14(20)19-11-4-3-7-21-11/h3-7H,1-2H3,(H,19,20)
InChIKeyGECBIOBAZFRYCB-UHFFFAOYSA-N
XLogP4.08
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,2-dimethyl-N-thiophen-2-ylbutanamide
CID 115156865
4-cyano-N-thiophen-2-ylpyridine-3-carboxamide
CID 115115610
1-(2,5-difluorophenyl)-3-thiophen-2-ylurea
CID 108889251
2-(6-fluoro-2,3-dimethylphenyl)-2-methylpropanenitrile
CID 84771971
1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea
CID 58044673
thiophen-2-ylcarbamic acid
CID 19432670
3-oxo-2-thiophen-2-yl-3-(2,3,4-trifluorophenyl)propanenitrile
CID 79749228
2,2-dimethyl-3-(thiophen-2-ylamino)propanenitrile
CID 115233744
1-[2-(tert-butyldiazenyl)propan-2-yl]-3-thiophen-2-ylurea
CID 21431297
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
N-thiophen-2-ylcarbamate
CID 19956166
3-chloro-N-(2-cyanopentan-2-yl)-2,4-difluorobenzamide
CID 166404805

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide?
The IUPAC name of 3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide (CID 89483576) is 3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide.
What is the SMILES notation for 3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide?
The canonical SMILES for 3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide is CC(C)(C#N)c1c(F)ccc(C(=O)Nc2cccs2)c1F.
What is the InChIKey of 3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide?
The InChIKey is GECBIOBAZFRYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2OS/c1-15(2,8-18)12-10(16)6-5-9(13(12)17)14(20)19-11-4-3-7-21-11/h3-7H,1-2H3,(H,19,20).
What are the key properties of 3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide?
3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide has a molecular weight of 306.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanopropan-2-yl)-2,4-difluoro-N-thiophen-2-ylbenzamide is sourced from PubChem (CID 89483576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).