5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide

C14H12ClF2N3O — CID 107244907

IUPAC5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H12ClF2N3O/c1-2-20(8-9-3-4-10(16)11(17)5-9)14(21)12-6-19-13(15)7-18-12/h3-7H,2,8H2,1H3
InChIKeyZPXNEBCYEXUULS-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.07
Rot. Bonds4

About 5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide

5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide (PubChem CID 107244907) has the molecular formula C14H12ClF2N3O and a molecular weight of 311.72 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide
PubChem CID107244907
Molecular FormulaC14H12ClF2N3O
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC Name5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C14H12ClF2N3O/c1-2-20(8-9-3-4-10(16)11(17)5-9)14(21)12-6-19-13(15)7-18-12/h3-7H,2,8H2,1H3
InChIKeyZPXNEBCYEXUULS-UHFFFAOYSA-N
XLogP3.07
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 112733333
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 66483932
N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63858873
methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
CID 103817201
3-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1H-pyrazole-5-carboxamide
CID 64523483
2,3-dichloro-N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 166428357
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 103803319
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
4,5-dibromo-N-[(3,4-difluorophenyl)methyl]-N-ethylthiophene-2-carboxamide
CID 112725711
N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide
CID 79204676
N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-N-ethylpyrazine-2-carboxamide
CID 107236595
2,2,2-trifluoroethyl N-[(3,4-difluorophenyl)methyl]-N-ethylcarbamate
CID 61066669

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide (CID 107244907) is 5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide is CCN(Cc1ccc(F)c(F)c1)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide?
The InChIKey is ZPXNEBCYEXUULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3O/c1-2-20(8-9-3-4-10(16)11(17)5-9)14(21)12-6-19-13(15)7-18-12/h3-7H,2,8H2,1H3.
What are the key properties of 5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide?
5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide has a molecular weight of 311.72 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 107244907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).