N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide

C24H19ClFN3O3 — CID 135910271

IUPACN-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc(-c2ccnn2-c2ccccc2F)c(O)cc1O
InChIInChI=1S/C24H19ClFN3O3/c1-28(14-15-5-4-6-16(25)11-15)24(32)18-12-17(22(30)13-23(18)31)20-9-10-27-29(20)21-8-3-2-7-19(21)26/h2-13,30-31H,14H2,1H3
InChIKeyGOKNYRMHIZKMFS-UHFFFAOYSA-N
MW451.89 g/mol
LogP5.02
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide

N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide (PubChem CID 135910271) has the molecular formula C24H19ClFN3O3 and a molecular weight of 451.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
PubChem CID135910271
Molecular FormulaC24H19ClFN3O3
Molecular Weight451.89 g/mol
Exact Mass451.11
IUPAC NameN-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)c1cc(-c2ccnn2-c2ccccc2F)c(O)cc1O
InChIInChI=1S/C24H19ClFN3O3/c1-28(14-15-5-4-6-16(25)11-15)24(32)18-12-17(22(30)13-23(18)31)20-9-10-27-29(20)21-8-3-2-7-19(21)26/h2-13,30-31H,14H2,1H3
InChIKeyGOKNYRMHIZKMFS-UHFFFAOYSA-N
XLogP5.02
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.89
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide (CID 135910271) is N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide is CN(Cc1cccc(Cl)c1)C(=O)c1cc(-c2ccnn2-c2ccccc2F)c(O)cc1O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The InChIKey is GOKNYRMHIZKMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O3/c1-28(14-15-5-4-6-16(25)11-15)24(32)18-12-17(22(30)13-23(18)31)20-9-10-27-29(20)21-8-3-2-7-19(21)26/h2-13,30-31H,14H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide has a molecular weight of 451.89 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-[2-(2-fluorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 135910271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).