N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide

C17H11ClF3N3O — CID 56967347

IUPACN-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2F)c1)c1c(F)cccc1F
InChIInChI=1S/C17H11ClF3N3O/c18-11-5-4-10(15(21)6-11)8-24-9-12(7-22-24)23-17(25)16-13(19)2-1-3-14(16)20/h1-7,9H,8H2,(H,23,25)
InChIKeyCOOWHRHQQKJZGZ-UHFFFAOYSA-N
MW365.74 g/mol
LogP4.25
Rot. Bonds4

About N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide

N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 56967347) has the molecular formula C17H11ClF3N3O and a molecular weight of 365.74 g/mol. Its IUPAC name is N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide
PubChem CID56967347
Molecular FormulaC17H11ClF3N3O
Molecular Weight365.74 g/mol
Exact Mass365.05
IUPAC NameN-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2F)c1)c1c(F)cccc1F
InChIInChI=1S/C17H11ClF3N3O/c18-11-5-4-10(15(21)6-11)8-24-9-12(7-22-24)23-17(25)16-13(19)2-1-3-14(16)20/h1-7,9H,8H2,(H,23,25)
InChIKeyCOOWHRHQQKJZGZ-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide (CID 56967347) is N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide is O=C(Nc1cnn(Cc2ccc(Cl)cc2F)c1)c1c(F)cccc1F.
What is the InChIKey of N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide?
The InChIKey is COOWHRHQQKJZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O/c18-11-5-4-10(15(21)6-11)8-24-9-12(7-22-24)23-17(25)16-13(19)2-1-3-14(16)20/h1-7,9H,8H2,(H,23,25).
What are the key properties of N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide?
N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide has a molecular weight of 365.74 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 56967347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).