N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide

C24H18Cl2FN3O3 — CID 135910292

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O
InChIInChI=1S/C24H18Cl2FN3O3/c1-29(13-16-17(25)6-4-7-19(16)27)24(33)15-11-14(22(31)12-23(15)32)20-9-10-28-30(20)21-8-3-2-5-18(21)26/h2-12,31-32H,13H2,1H3
InChIKeyQFOLVOFHGGIOHR-UHFFFAOYSA-N
MW486.33 g/mol
LogP5.67
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide (PubChem CID 135910292) has the molecular formula C24H18Cl2FN3O3 and a molecular weight of 486.33 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
PubChem CID135910292
Molecular FormulaC24H18Cl2FN3O3
Molecular Weight486.33 g/mol
Exact Mass485.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O
InChIInChI=1S/C24H18Cl2FN3O3/c1-29(13-16-17(25)6-4-7-19(16)27)24(33)15-11-14(22(31)12-23(15)32)20-9-10-28-30(20)21-8-3-2-5-18(21)26/h2-12,31-32H,13H2,1H3
InChIKeyQFOLVOFHGGIOHR-UHFFFAOYSA-N
XLogP5.67
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.33
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide (CID 135910292) is N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
The InChIKey is QFOLVOFHGGIOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN3O3/c1-29(13-16-17(25)6-4-7-19(16)27)24(33)15-11-14(22(31)12-23(15)32)20-9-10-28-30(20)21-8-3-2-5-18(21)26/h2-12,31-32H,13H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide has a molecular weight of 486.33 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 135910292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).