2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide

C24H26F2N4O2 — CID 66928061

IUPAC2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide
SMILESCN1CCCC1CCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1-c1ccnn1C
InChIInChI=1S/C24H26F2N4O2/c1-29-12-3-4-18(29)10-13-32-23-8-6-17(15-20(23)22-9-11-27-30(22)2)28-24(31)19-7-5-16(25)14-21(19)26/h5-9,11,14-15,18H,3-4,10,12-13H2,1-2H3,(H,28,31)
InChIKeyYTQYFDRJIFWSBT-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.48
Rot. Bonds7

About 2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide

2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide (PubChem CID 66928061) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide
PubChem CID66928061
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide
SMILESCN1CCCC1CCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1-c1ccnn1C
InChIInChI=1S/C24H26F2N4O2/c1-29-12-3-4-18(29)10-13-32-23-8-6-17(15-20(23)22-9-11-27-30(22)2)28-24(31)19-7-5-16(25)14-21(19)26/h5-9,11,14-15,18H,3-4,10,12-13H2,1-2H3,(H,28,31)
InChIKeyYTQYFDRJIFWSBT-UHFFFAOYSA-N
XLogP4.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
CID 46833073
3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]butanamide
CID 66927809
1-(2,4-difluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 66927855
1-(4-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-2-ylethoxy)phenyl]urea
CID 66928082
3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
(2R)-1-[2-[4-[(3-chloro-4-fluorobenzoyl)amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 66928115
tert-butyl 2-[[4-[(2,4-difluorophenyl)carbamoylamino]-2-(2-methylpyrazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate
CID 66928049
2-(2,4-difluorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 66927857
4-fluoro-N-[4-[2-(4-fluoropiperidin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-methylbenzamide
CID 66928778
1-(4-fluorophenyl)-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 66927888
1-(3-fluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]urea
CID 45486672
N-[4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 66928187

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide (CID 66928061) is 2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide is CN1CCCC1CCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1-c1ccnn1C.
What is the InChIKey of 2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide?
The InChIKey is YTQYFDRJIFWSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-29-12-3-4-18(29)10-13-32-23-8-6-17(15-20(23)22-9-11-27-30(22)2)28-24(31)19-7-5-16(25)14-21(19)26/h5-9,11,14-15,18H,3-4,10,12-13H2,1-2H3,(H,28,31).
What are the key properties of 2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide?
2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide has a molecular weight of 440.49 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]benzamide is sourced from PubChem (CID 66928061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).