3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide

C13H11F2NO2S — CID 2675191

IUPAC3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H11F2NO2S/c14-13(15)18-10-4-1-3-9(7-10)12(17)16-8-11-5-2-6-19-11/h1-7,13H,8H2,(H,16,17)
InChIKeyLRKCAXOWVHLJTK-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.28
Rot. Bonds5

About 3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide

3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2675191) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2675191
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Name3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H11F2NO2S/c14-13(15)18-10-4-1-3-9(7-10)12(17)16-8-11-5-2-6-19-11/h1-7,13H,8H2,(H,16,17)
InChIKeyLRKCAXOWVHLJTK-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
CID 114973227
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 134061161
1-[[3-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111259508
N-[[4-[[3-(difluoromethoxy)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 49336502
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051674
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736173
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide (CID 2675191) is 3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is LRKCAXOWVHLJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c14-13(15)18-10-4-1-3-9(7-10)12(17)16-8-11-5-2-6-19-11/h1-7,13H,8H2,(H,16,17).
What are the key properties of 3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide?
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 283.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2675191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).