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

C22H15ClFN3O2 — CID 155106306

IUPAC2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)c1ccccc1Cl
InChIInChI=1S/C22H15ClFN3O2/c23-18-4-2-1-3-16(18)22(29)25-15-8-5-13(6-9-15)19-12-20(27-26-19)17-11-14(24)7-10-21(17)28/h1-12,28H,(H,25,29)(H,26,27)
InChIKeyYWHKBVXCYCYNBU-UHFFFAOYSA-N
MW407.83 g/mol
LogP5.49
Rot. Bonds4

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

2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide (PubChem CID 155106306) has the molecular formula C22H15ClFN3O2 and a molecular weight of 407.83 g/mol. Its IUPAC name is 2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide
PubChem CID155106306
Molecular FormulaC22H15ClFN3O2
Molecular Weight407.83 g/mol
Exact Mass407.08
IUPAC Name2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc(-c3cc(F)ccc3O)[nH]n2)cc1)c1ccccc1Cl
InChIInChI=1S/C22H15ClFN3O2/c23-18-4-2-1-3-16(18)22(29)25-15-8-5-13(6-9-15)19-12-20(27-26-19)17-11-14(24)7-10-21(17)28/h1-12,28H,(H,25,29)(H,26,27)
InChIKeyYWHKBVXCYCYNBU-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

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Related Compounds

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
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
5-(5-chloro-2-hydroxyphenyl)-N-(3,4-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1855339
N-(3-chlorophenyl)-3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135652036
3-chloro-N-[(4-chlorophenyl)methyl]-N-[3-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 155402404
N-(4-chlorophenyl)-5-(2-hydroxy-3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 135577726
N-(2-fluorophenyl)-5-(2-hydroxy-3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 135577647
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
CID 59631888
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxyphenyl)benzamide
CID 59633021

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide (CID 155106306) is 2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide?
The canonical SMILES for 2-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)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide?
The InChIKey is YWHKBVXCYCYNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O2/c23-18-4-2-1-3-16(18)22(29)25-15-8-5-13(6-9-15)19-12-20(27-26-19)17-11-14(24)7-10-21(17)28/h1-12,28H,(H,25,29)(H,26,27).
What are the key properties of 2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide?
2-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 2-chloro-N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 155106306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).