3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide

C24H25ClF2N4O2 — CID 11662901

IUPAC3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1OCCN1CCC(F)CC1
InChIInChI=1S/C24H25ClF2N4O2/c1-30-22(6-9-28-30)19-15-18(29-24(32)16-2-4-21(27)20(25)14-16)3-5-23(19)33-13-12-31-10-7-17(26)8-11-31/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,29,32)
InChIKeyRHSHFZVUUPQGMQ-UHFFFAOYSA-N
MW474.94 g/mol
LogP4.94
Rot. Bonds7

About 3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide

3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide (PubChem CID 11662901) has the molecular formula C24H25ClF2N4O2 and a molecular weight of 474.94 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide
PubChem CID11662901
Molecular FormulaC24H25ClF2N4O2
Molecular Weight474.94 g/mol
Exact Mass474.16
IUPAC Name3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1OCCN1CCC(F)CC1
InChIInChI=1S/C24H25ClF2N4O2/c1-30-22(6-9-28-30)19-15-18(29-24(32)16-2-4-21(27)20(25)14-16)3-5-23(19)33-13-12-31-10-7-17(26)8-11-31/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,29,32)
InChIKeyRHSHFZVUUPQGMQ-UHFFFAOYSA-N
XLogP4.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide (CID 11662901) is 3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide is Cn1nccc1-c1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1OCCN1CCC(F)CC1.
What is the InChIKey of 3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
The InChIKey is RHSHFZVUUPQGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4O2/c1-30-22(6-9-28-30)19-15-18(29-24(32)16-2-4-21(27)20(25)14-16)3-5-23(19)33-13-12-31-10-7-17(26)8-11-31/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,29,32).
What are the key properties of 3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide?
3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide has a molecular weight of 474.94 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 11662901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).