N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide

C16H19ClFN3O — CID 122145361

IUPACN-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H19ClFN3O/c1-4-13-11(15(5-2)21(3)20-13)9-16(22)19-14-8-10(17)6-7-12(14)18/h6-8H,4-5,9H2,1-3H3,(H,19,22)
InChIKeyKHDYVAXXGLOASA-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.52
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide

N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide (PubChem CID 122145361) has the molecular formula C16H19ClFN3O and a molecular weight of 323.80 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide
PubChem CID122145361
Molecular FormulaC16H19ClFN3O
Molecular Weight323.80 g/mol
Exact Mass323.12
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCc1nn(C)c(CC)c1CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H19ClFN3O/c1-4-13-11(15(5-2)21(3)20-13)9-16(22)19-14-8-10(17)6-7-12(14)18/h6-8H,4-5,9H2,1-3H3,(H,19,22)
InChIKeyKHDYVAXXGLOASA-UHFFFAOYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 86819469
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977887
2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 43438160
N-(5-chloro-2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 8896475
N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756
4-chloro-2-(3,5-diethyl-1-methylpyrazol-4-yl)benzoic acid
CID 107990171
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
N-(5-chloro-2-methylphenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]acetamide
CID 107462794
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 136587064
N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 17449540
2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide (CID 122145361) is N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide is CCc1nn(C)c(CC)c1CC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide?
The InChIKey is KHDYVAXXGLOASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O/c1-4-13-11(15(5-2)21(3)20-13)9-16(22)19-14-8-10(17)6-7-12(14)18/h6-8H,4-5,9H2,1-3H3,(H,19,22).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide has a molecular weight of 323.80 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(3,5-diethyl-1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 122145361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).