5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide

C19H17F5N4O3 — CID 155264878

IUPAC5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide
SMILESC=C(CCNC(=O)COc1ccc(C(F)F)c(F)c1)NC(=O)c1cnc(C(F)F)cn1
InChIInChI=1S/C19H17F5N4O3/c1-10(28-19(30)15-8-26-14(7-27-15)18(23)24)4-5-25-16(29)9-31-11-2-3-12(17(21)22)13(20)6-11/h2-3,6-8,17-18H,1,4-5,9H2,(H,25,29)(H,28,30)
InChIKeyFZUWRJDLXYSOCV-UHFFFAOYSA-N
MW444.36 g/mol
LogP3.32
Rot. Bonds10

About 5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide

5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 155264878) has the molecular formula C19H17F5N4O3 and a molecular weight of 444.36 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide
PubChem CID155264878
Molecular FormulaC19H17F5N4O3
Molecular Weight444.36 g/mol
Exact Mass444.12
IUPAC Name5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide
SMILESC=C(CCNC(=O)COc1ccc(C(F)F)c(F)c1)NC(=O)c1cnc(C(F)F)cn1
InChIInChI=1S/C19H17F5N4O3/c1-10(28-19(30)15-8-26-14(7-27-15)18(23)24)4-5-25-16(29)9-31-11-2-3-12(17(21)22)13(20)6-11/h2-3,6-8,17-18H,1,4-5,9H2,(H,25,29)(H,28,30)
InChIKeyFZUWRJDLXYSOCV-UHFFFAOYSA-N
XLogP3.32
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-methoxypyridine-2-carboxamide
CID 155264549
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-[(E)-2-cyclopropylethenyl]pyridine-2-carboxamide
CID 155264545
N-[2-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-ylamino]-2-oxoethyl]-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 138632449
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 155264774
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-5,6-dimethylpyrazine-2-carboxamide
CID 155264535
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-1,3-benzoxazole-2-carboxamide
CID 155264613
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
(E)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 138632707
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-(trifluoromethyl)-1,2-oxazole-5-carboxamide
CID 155264848
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-(hydrazinylmethyl)benzamide
CID 155265235
N-[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]but-3-enyl]-2-(3,4-difluorophenoxy)acetamide
CID 138632388

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide (CID 155264878) is 5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide is C=C(CCNC(=O)COc1ccc(C(F)F)c(F)c1)NC(=O)c1cnc(C(F)F)cn1.
What is the InChIKey of 5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is FZUWRJDLXYSOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N4O3/c1-10(28-19(30)15-8-26-14(7-27-15)18(23)24)4-5-25-16(29)9-31-11-2-3-12(17(21)22)13(20)6-11/h2-3,6-8,17-18H,1,4-5,9H2,(H,25,29)(H,28,30).
What are the key properties of 5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide?
5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 444.36 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[4-[[2-[4-(difluoromethyl)-3-fluorophenoxy]acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155264878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).