2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide

C24H16F4N4O2 — CID 55765236

IUPAC2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C24H16F4N4O2/c25-20-5-2-1-4-18(20)23(34)30-16-8-11-21(19(14-16)24(26,27)28)31-22(33)15-6-9-17(10-7-15)32-13-3-12-29-32/h1-14H,(H,30,34)(H,31,33)
InChIKeyAHMNVXXDGIXNBN-UHFFFAOYSA-N
MW468.41 g/mol
LogP5.53
Rot. Bonds5

About 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide

2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 55765236) has the molecular formula C24H16F4N4O2 and a molecular weight of 468.41 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID55765236
Molecular FormulaC24H16F4N4O2
Molecular Weight468.41 g/mol
Exact Mass468.12
IUPAC Name2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C24H16F4N4O2/c25-20-5-2-1-4-18(20)23(34)30-16-8-11-21(19(14-16)24(26,27)28)31-22(33)15-6-9-17(10-7-15)32-13-3-12-29-32/h1-14H,(H,30,34)(H,31,33)
InChIKeyAHMNVXXDGIXNBN-UHFFFAOYSA-N
XLogP5.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.41
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]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

N-[4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765682
N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765550
3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
CID 39188940
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765716
N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765297
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 112831169
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 52598903
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 52638821
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide (CID 55765236) is 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AHMNVXXDGIXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N4O2/c25-20-5-2-1-4-18(20)23(34)30-16-8-11-21(19(14-16)24(26,27)28)31-22(33)15-6-9-17(10-7-15)32-13-3-12-29-32/h1-14H,(H,30,34)(H,31,33).
What are the key properties of 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide?
2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 468.41 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55765236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).