3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide

C13H16F2N2O2 — CID 55160007

IUPAC3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCNc1c(F)cc(C(=O)NCC2CCCO2)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-16-12-10(14)5-8(6-11(12)15)13(18)17-7-9-3-2-4-19-9/h5-6,9,16H,2-4,7H2,1H3,(H,17,18)
InChIKeyIQESODRXTKPYEG-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.92
Rot. Bonds4

About 3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide

3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 55160007) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID55160007
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCNc1c(F)cc(C(=O)NCC2CCCO2)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-16-12-10(14)5-8(6-11(12)15)13(18)17-7-9-3-2-4-19-9/h5-6,9,16H,2-4,7H2,1H3,(H,17,18)
InChIKeyIQESODRXTKPYEG-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707599
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 63185072
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185292
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583
2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55042257
4-amino-3-fluoro-N-(oxan-2-ylmethyl)benzamide
CID 55103122
3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612937
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide (CID 55160007) is 3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide is CNc1c(F)cc(C(=O)NCC2CCCO2)cc1F.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is IQESODRXTKPYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-16-12-10(14)5-8(6-11(12)15)13(18)17-7-9-3-2-4-19-9/h5-6,9,16H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide?
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 270.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 55160007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).