2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide

C24H18Cl2FN3O2 — CID 56967535

IUPAC2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide
SMILESO=C(Nc1cnn(Cc2cc(Cl)ccc2OCc2ccccc2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C24H18Cl2FN3O2/c25-18-9-10-22(32-15-16-5-2-1-3-6-16)17(11-18)13-30-14-19(12-28-30)29-24(31)23-20(26)7-4-8-21(23)27/h1-12,14H,13,15H2,(H,29,31)
InChIKeyHULOYQGQQOWXLI-UHFFFAOYSA-N
MW470.33 g/mol
LogP6.21
Rot. Bonds7

About 2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide

2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide (PubChem CID 56967535) has the molecular formula C24H18Cl2FN3O2 and a molecular weight of 470.33 g/mol. Its IUPAC name is 2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide
PubChem CID56967535
Molecular FormulaC24H18Cl2FN3O2
Molecular Weight470.33 g/mol
Exact Mass469.08
IUPAC Name2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide
SMILESO=C(Nc1cnn(Cc2cc(Cl)ccc2OCc2ccccc2)c1)c1c(F)cccc1Cl
InChIInChI=1S/C24H18Cl2FN3O2/c25-18-9-10-22(32-15-16-5-2-1-3-6-16)17(11-18)13-30-14-19(12-28-30)29-24(31)23-20(26)7-4-8-21(23)27/h1-12,14H,13,15H2,(H,29,31)
InChIKeyHULOYQGQQOWXLI-UHFFFAOYSA-N
XLogP6.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.33
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide (CID 56967535) is 2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide is O=C(Nc1cnn(Cc2cc(Cl)ccc2OCc2ccccc2)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide?
The InChIKey is HULOYQGQQOWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O2/c25-18-9-10-22(32-15-16-5-2-1-3-6-16)17(11-18)13-30-14-19(12-28-30)29-24(31)23-20(26)7-4-8-21(23)27/h1-12,14H,13,15H2,(H,29,31).
What are the key properties of 2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide?
2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide has a molecular weight of 470.33 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]-6-fluorobenzamide is sourced from PubChem (CID 56967535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).