2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide

C15H17FN4O3 — CID 46998929

IUPAC2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide
SMILESCc1nonc1CN(C)C(=O)CCNC(=O)c1ccccc1F
InChIInChI=1S/C15H17FN4O3/c1-10-13(19-23-18-10)9-20(2)14(21)7-8-17-15(22)11-5-3-4-6-12(11)16/h3-6H,7-9H2,1-2H3,(H,17,22)
InChIKeyMNJUQOBYBLNJHZ-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.30
Rot. Bonds6

About 2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide

2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide (PubChem CID 46998929) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide
PubChem CID46998929
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Name2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide
SMILESCc1nonc1CN(C)C(=O)CCNC(=O)c1ccccc1F
InChIInChI=1S/C15H17FN4O3/c1-10-13(19-23-18-10)9-20(2)14(21)7-8-17-15(22)11-5-3-4-6-12(11)16/h3-6H,7-9H2,1-2H3,(H,17,22)
InChIKeyMNJUQOBYBLNJHZ-UHFFFAOYSA-N
XLogP1.30
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide (CID 46998929) is 2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide is Cc1nonc1CN(C)C(=O)CCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide?
The InChIKey is MNJUQOBYBLNJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-10-13(19-23-18-10)9-20(2)14(21)7-8-17-15(22)11-5-3-4-6-12(11)16/h3-6H,7-9H2,1-2H3,(H,17,22).
What are the key properties of 2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide?
2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide has a molecular weight of 320.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 46998929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).