2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide

C24H19F2N3O2 — CID 56967344

IUPAC2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccccc2OCc2ccccc2)c1)c1c(F)cccc1F
InChIInChI=1S/C24H19F2N3O2/c25-20-10-6-11-21(26)23(20)24(30)28-19-13-27-29(15-19)14-18-9-4-5-12-22(18)31-16-17-7-2-1-3-8-17/h1-13,15H,14,16H2,(H,28,30)
InChIKeyAABJITKCJFQKDD-UHFFFAOYSA-N
MW419.43 g/mol
LogP5.04
Rot. Bonds7

About 2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide

2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 56967344) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID56967344
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccccc2OCc2ccccc2)c1)c1c(F)cccc1F
InChIInChI=1S/C24H19F2N3O2/c25-20-10-6-11-21(26)23(20)24(30)28-19-13-27-29(15-19)14-18-9-4-5-12-22(18)31-16-17-7-2-1-3-8-17/h1-13,15H,14,16H2,(H,28,30)
InChIKeyAABJITKCJFQKDD-UHFFFAOYSA-N
XLogP5.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromophenoxy)methyl]-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 997073
4-[(4-bromophenoxy)methyl]-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 997311
N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
CID 67108013
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(4-fluorophenyl)-2-oxoacetamide
CID 23582760

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide (CID 56967344) is 2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2ccccc2OCc2ccccc2)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is AABJITKCJFQKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-20-10-6-11-21(26)23(20)24(30)28-19-13-27-29(15-19)14-18-9-4-5-12-22(18)31-16-17-7-2-1-3-8-17/h1-13,15H,14,16H2,(H,28,30).
What are the key properties of 2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide?
2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 419.43 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 56967344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).