2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide

C18H14F4N4O3 — CID 56854844

IUPAC2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide
SMILESO=C(Cn1cc(NC(=O)c2ccccc2F)cn1)NC(c1ccco1)C(F)(F)F
InChIInChI=1S/C18H14F4N4O3/c19-13-5-2-1-4-12(13)17(28)24-11-8-23-26(9-11)10-15(27)25-16(18(20,21)22)14-6-3-7-29-14/h1-9,16H,10H2,(H,24,28)(H,25,27)
InChIKeyUXFVTRQQYHEBOE-UHFFFAOYSA-N
MW410.33 g/mol
LogP3.29
Rot. Bonds6

About 2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide

2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide (PubChem CID 56854844) has the molecular formula C18H14F4N4O3 and a molecular weight of 410.33 g/mol. Its IUPAC name is 2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide
PubChem CID56854844
Molecular FormulaC18H14F4N4O3
Molecular Weight410.33 g/mol
Exact Mass410.10
IUPAC Name2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide
SMILESO=C(Cn1cc(NC(=O)c2ccccc2F)cn1)NC(c1ccco1)C(F)(F)F
InChIInChI=1S/C18H14F4N4O3/c19-13-5-2-1-4-12(13)17(28)24-11-8-23-26(9-11)10-15(27)25-16(18(20,21)22)14-6-3-7-29-14/h1-9,16H,10H2,(H,24,28)(H,25,27)
InChIKeyUXFVTRQQYHEBOE-UHFFFAOYSA-N
XLogP3.29
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
2-chloro-6-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzamide
CID 95741363
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
N-[1-[2-[[(4-fluorophenyl)-pyridin-4-ylmethyl]amino]-2-oxoethyl]pyrazol-4-yl]-2-methylfuran-3-carboxamide
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N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
N-[1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 92632302
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
CID 86783234
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
2-[4-(1H-indole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018899
2-fluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011312

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide (CID 56854844) is 2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide is O=C(Cn1cc(NC(=O)c2ccccc2F)cn1)NC(c1ccco1)C(F)(F)F.
What is the InChIKey of 2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide?
The InChIKey is UXFVTRQQYHEBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O3/c19-13-5-2-1-4-12(13)17(28)24-11-8-23-26(9-11)10-15(27)25-16(18(20,21)22)14-6-3-7-29-14/h1-9,16H,10H2,(H,24,28)(H,25,27).
What are the key properties of 2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide?
2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide has a molecular weight of 410.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[2-oxo-2-[[2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]ethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 56854844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).