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

C17H16ClFN4O3 — CID 155264456

IUPACN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide
SMILESC=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1cnccn1
InChIInChI=1S/C17H16ClFN4O3/c1-11(23-17(25)15-9-20-6-7-21-15)4-5-22-16(24)10-26-12-2-3-13(18)14(19)8-12/h2-3,6-9H,1,4-5,10H2,(H,22,24)(H,23,25)
InChIKeyOQLKITHJFJHKLM-UHFFFAOYSA-N
MW378.79 g/mol
LogP2.10
Rot. Bonds8

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

N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide (PubChem CID 155264456) has the molecular formula C17H16ClFN4O3 and a molecular weight of 378.79 g/mol. Its IUPAC name is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide
PubChem CID155264456
Molecular FormulaC17H16ClFN4O3
Molecular Weight378.79 g/mol
Exact Mass378.09
IUPAC NameN-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide
SMILESC=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1cnccn1
InChIInChI=1S/C17H16ClFN4O3/c1-11(23-17(25)15-9-20-6-7-21-15)4-5-22-16(24)10-26-12-2-3-13(18)14(19)8-12/h2-3,6-9H,1,4-5,10H2,(H,22,24)(H,23,25)
InChIKeyOQLKITHJFJHKLM-UHFFFAOYSA-N
XLogP2.10
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 862098
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2988519
Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
N-(3-{[(2-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498596
N-(3-{[(2,4-dichlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498608
Pyrazine-2-carboxylic acid [2-(2-m-tolyloxy-acetylamino)-ethyl]-amide
CID 6498567
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498570
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498597
US11166958, Example 5
CID 146526322
Pyrazine-2-carboxylic acid {2-[2-(4-chloro-phenoxy)-acetylamino]-ethyl}-amide
CID 6498571
N-(3-{[(4-bromophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498598
N-(5-chloro-2-phenoxyphenyl)pyrazine-2-carboxamide
CID 2441383

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide (CID 155264456) is N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide is C=C(CCNC(=O)COc1ccc(Cl)c(F)c1)NC(=O)c1cnccn1.
What is the InChIKey of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is OQLKITHJFJHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O3/c1-11(23-17(25)15-9-20-6-7-21-15)4-5-22-16(24)10-26-12-2-3-13(18)14(19)8-12/h2-3,6-9H,1,4-5,10H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide?
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 378.79 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155264456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).