N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

C19H15F3N4O2 — CID 16614754

IUPACN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H15F3N4O2/c20-14-6-7-15(19(22)18(14)21)25-17(28)10-23-16(27)8-12-9-24-26(11-12)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,23,27)(H,25,28)
InChIKeyJCAFXVNJACOZBX-UHFFFAOYSA-N
MW388.35 g/mol
LogP2.59
Rot. Bonds6

About N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 16614754) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID16614754
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H15F3N4O2/c20-14-6-7-15(19(22)18(14)21)25-17(28)10-23-16(27)8-12-9-24-26(11-12)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,23,27)(H,25,28)
InChIKeyJCAFXVNJACOZBX-UHFFFAOYSA-N
XLogP2.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Rgfp966
CID 56650312
5-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,4-imidazolidinedione
CID 660311
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CID 948334
2-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723780
3-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723781
4-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723782
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-cyclohexyl-2-(3-fluoro-N-(2-pyrazol-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 68056678
N-(2-amino-4-fluorophenyl)-3-[1-(3-phenylprop-2-enyl)-4-pyrazolyl]-2-propenamide
CID 68294530
2-(1-isobutyl-3-oxo-2-piperazinyl)-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16187839
1-[3-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propyl]-2-pyrrolidinone
CID 16191024
N-ethyl-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 16614754) is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is O=C(Cc1cnn(-c2ccccc2)c1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is JCAFXVNJACOZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c20-14-6-7-15(19(22)18(14)21)25-17(28)10-23-16(27)8-12-9-24-26(11-12)13-4-2-1-3-5-13/h1-7,9,11H,8,10H2,(H,23,27)(H,25,28).
What are the key properties of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 388.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16614754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).