3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide

C22H15ClFN3O2 — CID 155106378

IUPAC3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClFN3O2/c23-15-3-1-2-14(10-15)22(29)25-17-7-4-13(5-8-17)19-12-20(27-26-19)18-11-16(24)6-9-21(18)28/h1-12,28H,(H,25,29)(H,26,27)
InChIKeyUQZDKJZBCGLAIT-UHFFFAOYSA-N
MW407.83 g/mol
LogP5.49
Rot. Bonds4

About 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide

3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide (PubChem CID 155106378) has the molecular formula C22H15ClFN3O2 and a molecular weight of 407.83 g/mol. Its IUPAC name is 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide
PubChem CID155106378
Molecular FormulaC22H15ClFN3O2
Molecular Weight407.83 g/mol
Exact Mass407.08
IUPAC Name3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClFN3O2/c23-15-3-1-2-14(10-15)22(29)25-17-7-4-13(5-8-17)19-12-20(27-26-19)18-11-16(24)6-9-21(18)28/h1-12,28H,(H,25,29)(H,26,27)
InChIKeyUQZDKJZBCGLAIT-UHFFFAOYSA-N
XLogP5.49
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.83
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]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-(3,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1855608
5-(5-chloro-2-hydroxyphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1858336
N-(3-chloro-4-methylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 2040201
N-[4-(acetylamino)phenyl]-5-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1970330
3-[(3-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630328
3-[(3-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630329
5-(5-chloro-2-hydroxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 1832400
N-(3-chloro-2-methylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1847235
3-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 49786607
N-[1-(3-chlorophenyl)-2-hydroxyethyl]-3-(3-fluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide
CID 137210065
N-[1-(3-chlorophenyl)ethyl]-3-(3,5-difluoro-4-hydroxyphenyl)-1H-indazole-5-carboxamide
CID 137210066
5-(5-chloro-2-hydroxyphenyl)-N-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1855339

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide (CID 155106378) is 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide is O=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide?
The InChIKey is UQZDKJZBCGLAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O2/c23-15-3-1-2-14(10-15)22(29)25-17-7-4-13(5-8-17)19-12-20(27-26-19)18-11-16(24)6-9-21(18)28/h1-12,28H,(H,25,29)(H,26,27).
What are the key properties of 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide?
3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide has a molecular weight of 407.83 g/mol, XLogP of 5.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 155106378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).