4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide

C26H24N4O3 — CID 86848803

IUPAC4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cnn(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C26H24N4O3/c1-33-24-13-9-19(10-14-24)15-25(31)27-16-20-7-11-21(12-8-20)26(32)29-22-17-28-30(18-22)23-5-3-2-4-6-23/h2-14,17-18H,15-16H2,1H3,(H,27,31)(H,29,32)
InChIKeyBICJGBLRLQYIMF-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.99
Rot. Bonds8

About 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide

4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide (PubChem CID 86848803) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide
PubChem CID86848803
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cnn(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C26H24N4O3/c1-33-24-13-9-19(10-14-24)15-25(31)27-16-20-7-11-21(12-8-20)26(32)29-22-17-28-30(18-22)23-5-3-2-4-6-23/h2-14,17-18H,15-16H2,1H3,(H,27,31)(H,29,32)
InChIKeyBICJGBLRLQYIMF-UHFFFAOYSA-N
XLogP3.99
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
CID 86883709
methyl 2-methoxy-5-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 51329846
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111182855
2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744739
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-4-methoxybenzamide
CID 108923056

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide (CID 86848803) is 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide is COc1ccc(CC(=O)NCc2ccc(C(=O)Nc3cnn(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide?
The InChIKey is BICJGBLRLQYIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-33-24-13-9-19(10-14-24)15-25(31)27-16-20-7-11-21(12-8-20)26(32)29-22-17-28-30(18-22)23-5-3-2-4-6-23/h2-14,17-18H,15-16H2,1H3,(H,27,31)(H,29,32).
What are the key properties of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide?
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide has a molecular weight of 440.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 86848803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).