N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide

C18H15ClFN3O — CID 122132583

IUPACN-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H15ClFN3O/c1-23-11-12(10-21-23)8-18(24)22-17-7-6-15(20)9-16(17)13-2-4-14(19)5-3-13/h2-7,9-11H,8H2,1H3,(H,22,24)
InChIKeyCFRFKYOFXCLAMI-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.06
Rot. Bonds4

About N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide

N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 122132583) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID122132583
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H15ClFN3O/c1-23-11-12(10-21-23)8-18(24)22-17-7-6-15(20)9-16(17)13-2-4-14(19)5-3-13/h2-7,9-11H,8H2,1H3,(H,22,24)
InChIKeyCFRFKYOFXCLAMI-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 122132583) is N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(CC(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is CFRFKYOFXCLAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-23-11-12(10-21-23)8-18(24)22-17-7-6-15(20)9-16(17)13-2-4-14(19)5-3-13/h2-7,9-11H,8H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide?
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 343.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 122132583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).