2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide

C18H12ClFN4O — CID 155063465

IUPAC2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide
SMILESN#Cc1cnn(-c2ccc(NC(=O)Cc3cc(F)ccc3Cl)cc2)c1
InChIInChI=1S/C18H12ClFN4O/c19-17-6-1-14(20)7-13(17)8-18(25)23-15-2-4-16(5-3-15)24-11-12(9-21)10-22-24/h1-7,10-11H,8H2,(H,23,25)
InChIKeyJLGYIPQELHGCAW-UHFFFAOYSA-N
MW354.77 g/mol
LogP3.72
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide

2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide (PubChem CID 155063465) has the molecular formula C18H12ClFN4O and a molecular weight of 354.77 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide
PubChem CID155063465
Molecular FormulaC18H12ClFN4O
Molecular Weight354.77 g/mol
Exact Mass354.07
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide
SMILESN#Cc1cnn(-c2ccc(NC(=O)Cc3cc(F)ccc3Cl)cc2)c1
InChIInChI=1S/C18H12ClFN4O/c19-17-6-1-14(20)7-13(17)8-18(25)23-15-2-4-16(5-3-15)24-11-12(9-21)10-22-24/h1-7,10-11H,8H2,(H,23,25)
InChIKeyJLGYIPQELHGCAW-UHFFFAOYSA-N
XLogP3.72
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(2,5-dichlorophenyl)acetamide
CID 155063425
2-(2-chloro-4,5-difluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]acetamide
CID 155485783
N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(4-fluorophenyl)acetamide
CID 155063461
N-[4-(4-cyanopyrazol-1-yl)phenyl]-4-fluorocyclohexane-1-carboxamide
CID 166284474
2-(2-chloro-5-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67308080
N-[4-(4-cyanopyrazol-1-yl)-3-sulfinamoylphenyl]-2-(3,4-difluorophenyl)acetamide
CID 155485807
2-(3-chloro-4-pyridinyl)-N-[4-(4-cyanopyrazol-1-yl)-3-sulfamoylphenyl]acetamide;N-[4-(4-cyanopyrazol-1-yl)-3-sulfamoylphenyl]-2-[4-(difluoromethyl)phenyl]acetamide
CID 161261892
(3R)-N-[(3S)-3-(2-chloro-5-fluorophenyl)-6-(4-cyanopyrazol-1-yl)-1-oxo-2,3-dihydroisoindol-4-yl]-5-fluoro-3-hydroxy-2,3-dihydroindole-1-carboxamide
CID 176619585
2-(2-chloro-5-fluorophenyl)-N-[4-[(4-fluorophenoxy)methyl]-3-sulfamoylphenyl]acetamide
CID 164596527
2-(4-chloropyrazol-1-yl)-N-(4-cyanophenyl)acetamide
CID 50988853
N-(3-cyanophenyl)-2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)acetamide
CID 53014432
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide (CID 155063465) is 2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide is N#Cc1cnn(-c2ccc(NC(=O)Cc3cc(F)ccc3Cl)cc2)c1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide?
The InChIKey is JLGYIPQELHGCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O/c19-17-6-1-14(20)7-13(17)8-18(25)23-15-2-4-16(5-3-15)24-11-12(9-21)10-22-24/h1-7,10-11H,8H2,(H,23,25).
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide?
2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide has a molecular weight of 354.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-[4-(4-cyanopyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 155063465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).