4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide

C24H27FN4O2 — CID 11531901

IUPAC4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(OCC3CCCN3C)c(-c3ccnn3C)c2)ccc1F
InChIInChI=1S/C24H27FN4O2/c1-16-13-17(6-8-21(16)25)24(30)27-18-7-9-23(31-15-19-5-4-12-28(19)2)20(14-18)22-10-11-26-29(22)3/h6-11,13-14,19H,4-5,12,15H2,1-3H3,(H,27,30)
InChIKeyGIJNVDRSOVXGDA-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.26
Rot. Bonds6

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

4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide (PubChem CID 11531901) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide
PubChem CID11531901
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(OCC3CCCN3C)c(-c3ccnn3C)c2)ccc1F
InChIInChI=1S/C24H27FN4O2/c1-16-13-17(6-8-21(16)25)24(30)27-18-7-9-23(31-15-19-5-4-12-28(19)2)20(14-18)22-10-11-26-29(22)3/h6-11,13-14,19H,4-5,12,15H2,1-3H3,(H,27,30)
InChIKeyGIJNVDRSOVXGDA-UHFFFAOYSA-N
XLogP4.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide (CID 11531901) is 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide is Cc1cc(C(=O)Nc2ccc(OCC3CCCN3C)c(-c3ccnn3C)c2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide?
The InChIKey is GIJNVDRSOVXGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-16-13-17(6-8-21(16)25)24(30)27-18-7-9-23(31-15-19-5-4-12-28(19)2)20(14-18)22-10-11-26-29(22)3/h6-11,13-14,19H,4-5,12,15H2,1-3H3,(H,27,30).
What are the key properties of 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide?
4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide has a molecular weight of 422.50 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[3-(2-methylpyrazol-3-yl)-4-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 11531901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).