4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide

C17H21FN4O3 — CID 50954329

IUPAC4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide
SMILESCOCC(NC(=O)CCNC(=O)c1ccc(F)cc1)c1ccnn1C
InChIInChI=1S/C17H21FN4O3/c1-22-15(7-10-20-22)14(11-25-2)21-16(23)8-9-19-17(24)12-3-5-13(18)6-4-12/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyDSFVCAFLQSLSLI-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.18
Rot. Bonds8

About 4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide

4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide (PubChem CID 50954329) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide
PubChem CID50954329
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide
SMILESCOCC(NC(=O)CCNC(=O)c1ccc(F)cc1)c1ccnn1C
InChIInChI=1S/C17H21FN4O3/c1-22-15(7-10-20-22)14(11-25-2)21-16(23)8-9-19-17(24)12-3-5-13(18)6-4-12/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyDSFVCAFLQSLSLI-UHFFFAOYSA-N
XLogP1.18
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide (CID 50954329) is 4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide is COCC(NC(=O)CCNC(=O)c1ccc(F)cc1)c1ccnn1C.
What is the InChIKey of 4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is DSFVCAFLQSLSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-22-15(7-10-20-22)14(11-25-2)21-16(23)8-9-19-17(24)12-3-5-13(18)6-4-12/h3-7,10,14H,8-9,11H2,1-2H3,(H,19,24)(H,21,23).
What are the key properties of 4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide?
4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 348.38 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 50954329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).