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

C14H16FN3O2 — CID 56748025

IUPAC3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1c(F)cccc1C(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C14H16FN3O2/c1-9(10-7-16-18(2)8-10)17-14(19)11-5-4-6-12(15)13(11)20-3/h4-9H,1-3H3,(H,17,19)
InChIKeyWISSAPCNWCKEED-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.06
Rot. Bonds4

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

3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 56748025) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID56748025
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCOc1c(F)cccc1C(=O)NC(C)c1cnn(C)c1
InChIInChI=1S/C14H16FN3O2/c1-9(10-7-16-18(2)8-10)17-14(19)11-5-4-6-12(15)13(11)20-3/h4-9H,1-3H3,(H,17,19)
InChIKeyWISSAPCNWCKEED-UHFFFAOYSA-N
XLogP2.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 56748025) is 3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide is COc1c(F)cccc1C(=O)NC(C)c1cnn(C)c1.
What is the InChIKey of 3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is WISSAPCNWCKEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9(10-7-16-18(2)8-10)17-14(19)11-5-4-6-12(15)13(11)20-3/h4-9H,1-3H3,(H,17,19).
What are the key properties of 3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide?
3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 277.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 56748025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).