3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide

C24H24F4N4O2 — CID 11655875

IUPAC3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1OCCN1CCCC1
InChIInChI=1S/C24H24F4N4O2/c1-31-21(8-9-29-31)18-15-17(5-7-22(18)34-13-12-32-10-2-3-11-32)30-23(33)16-4-6-19(20(25)14-16)24(26,27)28/h4-9,14-15H,2-3,10-13H2,1H3,(H,30,33)
InChIKeyMHKOGYOMSFQKGL-UHFFFAOYSA-N
MW476.47 g/mol
LogP4.97
Rot. Bonds7

About 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide

3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 11655875) has the molecular formula C24H24F4N4O2 and a molecular weight of 476.47 g/mol. Its IUPAC name is 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID11655875
Molecular FormulaC24H24F4N4O2
Molecular Weight476.47 g/mol
Exact Mass476.18
IUPAC Name3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1OCCN1CCCC1
InChIInChI=1S/C24H24F4N4O2/c1-31-21(8-9-29-31)18-15-17(5-7-22(18)34-13-12-32-10-2-3-11-32)30-23(33)16-4-6-19(20(25)14-16)24(26,27)28/h4-9,14-15H,2-3,10-13H2,1H3,(H,30,33)
InChIKeyMHKOGYOMSFQKGL-UHFFFAOYSA-N
XLogP4.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide (CID 11655875) is 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide is Cn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1OCCN1CCCC1.
What is the InChIKey of 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MHKOGYOMSFQKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2/c1-31-21(8-9-29-31)18-15-17(5-7-22(18)34-13-12-32-10-2-3-11-32)30-23(33)16-4-6-19(20(25)14-16)24(26,27)28/h4-9,14-15H,2-3,10-13H2,1H3,(H,30,33).
What are the key properties of 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide?
3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 476.47 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11655875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).