5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide

C14H13ClFN3O — CID 103817080

IUPAC5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H13ClFN3O/c1-9(10-3-5-11(16)6-4-10)19(2)14(20)12-7-18-13(15)8-17-12/h3-9H,1-2H3
InChIKeyXVRUQNJHVFQZPA-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.10
Rot. Bonds3

About 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide

5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 103817080) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide
PubChem CID103817080
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H13ClFN3O/c1-9(10-3-5-11(16)6-4-10)19(2)14(20)12-7-18-13(15)8-17-12/h3-9H,1-2H3
InChIKeyXVRUQNJHVFQZPA-UHFFFAOYSA-N
XLogP3.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874191
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 66462106
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 113219634
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid
CID 107371495
3,5-dichloro-N-[1-(4-fluorophenyl)ethyl]-4-methoxy-N-methylbenzamide
CID 46419830
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938
6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 103336949
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide (CID 103817080) is 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide is CC(c1ccc(F)cc1)N(C)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is XVRUQNJHVFQZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c1-9(10-3-5-11(16)6-4-10)19(2)14(20)12-7-18-13(15)8-17-12/h3-9H,1-2H3.
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide?
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 103817080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).