2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide

C13H12F2N2O3 — CID 19602509

IUPAC2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide
SMILESO=C(NCC1CN2C(=O)CC2O1)c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2O3/c14-7-1-2-10(15)9(3-7)13(19)16-5-8-6-17-11(18)4-12(17)20-8/h1-3,8,12H,4-6H2,(H,16,19)
InChIKeyQKKXZTFQCUDNSX-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.65
Rot. Bonds3

About 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide

2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide (PubChem CID 19602509) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide
PubChem CID19602509
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Name2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide
SMILESO=C(NCC1CN2C(=O)CC2O1)c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2O3/c14-7-1-2-10(15)9(3-7)13(19)16-5-8-6-17-11(18)4-12(17)20-8/h1-3,8,12H,4-6H2,(H,16,19)
InChIKeyQKKXZTFQCUDNSX-UHFFFAOYSA-N
XLogP0.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide with MolForge

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Related Compounds

2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
CID 54483231
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CID 92757698
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
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2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
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2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 134050539
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
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5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
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N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367477
2,5-difluoro-N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45178279
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide (CID 19602509) is 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide is O=C(NCC1CN2C(=O)CC2O1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide?
The InChIKey is QKKXZTFQCUDNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c14-7-1-2-10(15)9(3-7)13(19)16-5-8-6-17-11(18)4-12(17)20-8/h1-3,8,12H,4-6H2,(H,16,19).
What are the key properties of 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide?
2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide has a molecular weight of 282.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]benzamide is sourced from PubChem (CID 19602509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).