5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide

C14H13ClFN3O2 — CID 107251532

IUPAC5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H13ClFN3O2/c1-8(10-5-9(16)3-4-12(10)21-2)19-14(20)11-6-18-13(15)7-17-11/h3-8H,1-2H3,(H,19,20)
InChIKeyCWFUICVQVVZSPG-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.77
Rot. Bonds4

About 5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide

5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 107251532) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is 5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID107251532
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H13ClFN3O2/c1-8(10-5-9(16)3-4-12(10)21-2)19-14(20)11-6-18-13(15)7-17-11/h3-8H,1-2H3,(H,19,20)
InChIKeyCWFUICVQVVZSPG-UHFFFAOYSA-N
XLogP2.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 103803276
6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497321
5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 107236590
6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 66463904
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244718
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75449989
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94120662
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617
2-(2-aminoethyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 120623141

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 107251532) is 5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1ccc(F)cc1C(C)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is CWFUICVQVVZSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-8(10-5-9(16)3-4-12(10)21-2)19-14(20)11-6-18-13(15)7-17-11/h3-8H,1-2H3,(H,19,20).
What are the key properties of 5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 309.73 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107251532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).