4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide

C26H23ClN4O3 — CID 26522602

IUPAC4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1
InChIInChI=1S/C26H23ClN4O3/c1-16-24(27)17(2)31(30-16)21-14-10-19(11-15-21)25(32)28-20-12-8-18(9-13-20)26(33)29-22-6-4-5-7-23(22)34-3/h4-15H,1-3H3,(H,28,32)(H,29,33)
InChIKeyCLXLWTLHQWAWSH-UHFFFAOYSA-N
MW474.95 g/mol
LogP5.66
Rot. Bonds6

About 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide

4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 26522602) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID26522602
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Name4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1
InChIInChI=1S/C26H23ClN4O3/c1-16-24(27)17(2)31(30-16)21-14-10-19(11-15-21)25(32)28-20-12-8-18(9-13-20)26(33)29-22-6-4-5-7-23(22)34-3/h4-15H,1-3H3,(H,28,32)(H,29,33)
InChIKeyCLXLWTLHQWAWSH-UHFFFAOYSA-N
XLogP5.66
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.95
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)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

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
N-(5-chloro-2,4-dimethoxyphenyl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 42057925
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 26356006
2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 46436724
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 35281376
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide
CID 55886724
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 35281421
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide (CID 26522602) is 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1.
What is the InChIKey of 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is CLXLWTLHQWAWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-16-24(27)17(2)31(30-16)21-14-10-19(11-15-21)25(32)28-20-12-8-18(9-13-20)26(33)29-22-6-4-5-7-23(22)34-3/h4-15H,1-3H3,(H,28,32)(H,29,33).
What are the key properties of 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 474.95 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 26522602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).