N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide

C19H17ClFN3O — CID 58156979

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide
SMILESCc1ccccc1-n1cc(CC(=O)NCc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C19H17ClFN3O/c1-13-4-2-3-5-18(13)24-12-14(10-23-24)8-19(25)22-11-15-6-7-16(21)9-17(15)20/h2-7,9-10,12H,8,11H2,1H3,(H,22,25)
InChIKeyWWUVYPIINCGEHT-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.83
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide (PubChem CID 58156979) 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-[1-(2-methylphenyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide
PubChem CID58156979
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide
SMILESCc1ccccc1-n1cc(CC(=O)NCc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C19H17ClFN3O/c1-13-4-2-3-5-18(13)24-12-14(10-23-24)8-19(25)22-11-15-6-7-16(21)9-17(15)20/h2-7,9-10,12H,8,11H2,1H3,(H,22,25)
InChIKeyWWUVYPIINCGEHT-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-[1-(2-methylphenyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide (CID 58156979) is N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide is Cc1ccccc1-n1cc(CC(=O)NCc2ccc(F)cc2Cl)cn1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide?
The InChIKey is WWUVYPIINCGEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-13-4-2-3-5-18(13)24-12-14(10-23-24)8-19(25)22-11-15-6-7-16(21)9-17(15)20/h2-7,9-10,12H,8,11H2,1H3,(H,22,25).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-4-yl]acetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methylphenyl)pyrazol-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-[1-(2-methylphenyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 58156979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).