N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide

C25H20ClFN4O2 — CID 117075074

IUPACN-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)Nc4ccc(Cl)c(F)c4)c3)c2)c1
InChIInChI=1S/C25H20ClFN4O2/c1-16-4-2-5-17(10-16)11-24(32)29-20-14-28-31(15-20)21-7-3-6-18(12-21)25(33)30-19-8-9-22(26)23(27)13-19/h2-10,12-15H,11H2,1H3,(H,29,32)(H,30,33)
InChIKeyXGDFJZGBZBXSSX-UHFFFAOYSA-N
MW462.91 g/mol
LogP5.41
Rot. Bonds6

About N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide

N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (PubChem CID 117075074) has the molecular formula C25H20ClFN4O2 and a molecular weight of 462.91 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
PubChem CID117075074
Molecular FormulaC25H20ClFN4O2
Molecular Weight462.91 g/mol
Exact Mass462.13
IUPAC NameN-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
SMILESCc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)Nc4ccc(Cl)c(F)c4)c3)c2)c1
InChIInChI=1S/C25H20ClFN4O2/c1-16-4-2-5-17(10-16)11-24(32)29-20-14-28-31(15-20)21-7-3-6-18(12-21)25(33)30-19-8-9-22(26)23(27)13-19/h2-10,12-15H,11H2,1H3,(H,29,32)(H,30,33)
InChIKeyXGDFJZGBZBXSSX-UHFFFAOYSA-N
XLogP5.41
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.91
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide (CID 117075074) is N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)Nc4ccc(Cl)c(F)c4)c3)c2)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
The InChIKey is XGDFJZGBZBXSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O2/c1-16-4-2-5-17(10-16)11-24(32)29-20-14-28-31(15-20)21-7-3-6-18(12-21)25(33)30-19-8-9-22(26)23(27)13-19/h2-10,12-15H,11H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide?
N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide has a molecular weight of 462.91 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide is sourced from PubChem (CID 117075074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).