3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C25H17FN4O3 — CID 19336412

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C25H17FN4O3/c26-18-7-3-5-16(11-18)14-29-15-19(13-27-29)28-23(31)17-6-4-8-20(12-17)30-24(32)21-9-1-2-10-22(21)25(30)33/h1-13,15H,14H2,(H,28,31)
InChIKeyIBQVPXTXWVHOKH-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.12
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide

3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19336412) has the molecular formula C25H17FN4O3 and a molecular weight of 440.43 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19336412
Molecular FormulaC25H17FN4O3
Molecular Weight440.43 g/mol
Exact Mass440.13
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C25H17FN4O3/c26-18-7-3-5-16(11-18)14-29-15-19(13-27-29)28-23(31)17-6-4-8-20(12-17)30-24(32)21-9-1-2-10-22(21)25(30)33/h1-13,15H,14H2,(H,28,31)
InChIKeyIBQVPXTXWVHOKH-UHFFFAOYSA-N
XLogP4.12
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19403856
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19410347
3-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346328
3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336383
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976116
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide
CID 46951892
2,3-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336536

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19336412) is 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is IBQVPXTXWVHOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O3/c26-18-7-3-5-16(11-18)14-29-15-19(13-27-29)28-23(31)17-6-4-8-20(12-17)30-24(32)21-9-1-2-10-22(21)25(30)33/h1-13,15H,14H2,(H,28,31).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 440.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19336412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).