N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide

C21H16F7N3O — CID 175621306

IUPACN-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide
SMILESCCN(C(=O)Cc1c(-c2cn[nH]c2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C21H16F7N3O/c1-2-31(15-5-3-14(22)4-6-15)19(32)9-17-16(12-10-29-30-11-12)7-13(20(23,24)25)8-18(17)21(26,27)28/h3-8,10-11H,2,9H2,1H3,(H,29,30)
InChIKeyQHRCRKPCHXHJMA-UHFFFAOYSA-N
MW459.37 g/mol
LogP5.85
Rot. Bonds5

About N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide

N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 175621306) has the molecular formula C21H16F7N3O and a molecular weight of 459.37 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide
PubChem CID175621306
Molecular FormulaC21H16F7N3O
Molecular Weight459.37 g/mol
Exact Mass459.12
IUPAC NameN-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide
SMILESCCN(C(=O)Cc1c(-c2cn[nH]c2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C21H16F7N3O/c1-2-31(15-5-3-14(22)4-6-15)19(32)9-17-16(12-10-29-30-11-12)7-13(20(23,24)25)8-18(17)21(26,27)28/h3-8,10-11H,2,9H2,1H3,(H,29,30)
InChIKeyQHRCRKPCHXHJMA-UHFFFAOYSA-N
XLogP5.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.37
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-[3-(dimethylamino)-2-hydroxypropyl]-3-oxo-1,2,4-oxadiazolidin-2-yl]-4,6-bis(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 171507438
2-[2-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-6-methyl-4-(trifluoromethyl)phenyl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 171837297
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
N-ethyl-N-(4-fluorophenyl)-2H-triazole-4-carboxamide
CID 78969627
N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55609390
N-ethyl-N-(5-fluoro-6-methyl-2-pyridinyl)-2-[2-(3-oxo-1,2,4-oxadiazolidin-2-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide
CID 171507228
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 55382597
2-(2-chlorophenyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 60592550
N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63234213

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide (CID 175621306) is N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide is CCN(C(=O)Cc1c(-c2cn[nH]c2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is QHRCRKPCHXHJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F7N3O/c1-2-31(15-5-3-14(22)4-6-15)19(32)9-17-16(12-10-29-30-11-12)7-13(20(23,24)25)8-18(17)21(26,27)28/h3-8,10-11H,2,9H2,1H3,(H,29,30).
What are the key properties of N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide?
N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 459.37 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-2-[2-(1H-pyrazol-4-yl)-4,6-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 175621306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).