3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide

C13H14F2N4O2 — CID 106408572

IUPAC3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NCc2ncon2)cc1F
InChIInChI=1S/C13H14F2N4O2/c1-2-3-16-12-9(14)4-8(5-10(12)15)13(20)17-6-11-18-7-21-19-11/h4-5,7,16H,2-3,6H2,1H3,(H,17,20)
InChIKeyNNUIFXWQAOCLAW-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.10
Rot. Bonds6

About 3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide

3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide (PubChem CID 106408572) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide
PubChem CID106408572
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NCc2ncon2)cc1F
InChIInChI=1S/C13H14F2N4O2/c1-2-3-16-12-9(14)4-8(5-10(12)15)13(20)17-6-11-18-7-21-19-11/h4-5,7,16H,2-3,6H2,1H3,(H,17,20)
InChIKeyNNUIFXWQAOCLAW-UHFFFAOYSA-N
XLogP2.10
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-6-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106408556
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(propylamino)benzamide
CID 106402474
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185894
N-(1,2,4-oxadiazol-3-ylmethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 106408427
2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106408493
3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
CID 83016710
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408880
3-amino-5-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182827
2-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185141
3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106409151
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
CID 63185041

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide?
The IUPAC name of 3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide (CID 106408572) is 3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide?
The canonical SMILES for 3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide is CCCNc1c(F)cc(C(=O)NCc2ncon2)cc1F.
What is the InChIKey of 3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide?
The InChIKey is NNUIFXWQAOCLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-2-3-16-12-9(14)4-8(5-10(12)15)13(20)17-6-11-18-7-21-19-11/h4-5,7,16H,2-3,6H2,1H3,(H,17,20).
What are the key properties of 3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide?
3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide has a molecular weight of 296.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)-4-(propylamino)benzamide is sourced from PubChem (CID 106408572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).