N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C20H19ClFN3O — CID 91820715

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(F)cc3Cl)cc2)n1
InChIInChI=1S/C20H19ClFN3O/c1-13-9-14(2)25(24-13)12-15-3-5-16(6-4-15)20(26)23-11-17-7-8-18(22)10-19(17)21/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyPUPDWYSTSLHVKJ-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.27
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 91820715) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID91820715
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(F)cc3Cl)cc2)n1
InChIInChI=1S/C20H19ClFN3O/c1-13-9-14(2)25(24-13)12-15-3-5-16(6-4-15)20(26)23-11-17-7-8-18(22)10-19(17)21/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyPUPDWYSTSLHVKJ-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.27
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]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 91820715) is N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(F)cc3Cl)cc2)n1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is PUPDWYSTSLHVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-13-9-14(2)25(24-13)12-15-3-5-16(6-4-15)20(26)23-11-17-7-8-18(22)10-19(17)21/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-[(2-chloro-4-fluorophenyl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 371.84 g/mol, XLogP of 4.27, 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]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 91820715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).