N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide

C19H17ClFN3O — CID 46887191

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1c(CC(=O)NCc2ccc(F)cc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C19H17ClFN3O/c1-13-15(12-23-24(13)17-5-3-2-4-6-17)9-19(25)22-11-14-7-8-16(21)10-18(14)20/h2-8,10,12H,9,11H2,1H3,(H,22,25)
InChIKeyTWZXJRYARMSHSI-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.83
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 46887191) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID46887191
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1c(CC(=O)NCc2ccc(F)cc2Cl)cnn1-c1ccccc1
InChIInChI=1S/C19H17ClFN3O/c1-13-15(12-23-24(13)17-5-3-2-4-6-17)9-19(25)22-11-14-7-8-16(21)10-18(14)20/h2-8,10,12H,9,11H2,1H3,(H,22,25)
InChIKeyTWZXJRYARMSHSI-UHFFFAOYSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide (CID 46887191) is N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide is Cc1c(CC(=O)NCc2ccc(F)cc2Cl)cnn1-c1ccccc1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is TWZXJRYARMSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-13-15(12-23-24(13)17-5-3-2-4-6-17)9-19(25)22-11-14-7-8-16(21)10-18(14)20/h2-8,10,12H,9,11H2,1H3,(H,22,25).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 357.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 46887191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).