N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide

C14H13ClN4O2 — CID 9417366

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cnccn1
InChIInChI=1S/C14H13ClN4O2/c1-19(14(21)12-8-16-6-7-17-12)9-13(20)18-11-4-2-10(15)3-5-11/h2-8H,9H2,1H3,(H,18,20)
InChIKeyAWRBZQGDQUGSFI-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.84
Rot. Bonds4

About N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide (PubChem CID 9417366) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
PubChem CID9417366
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cnccn1
InChIInChI=1S/C14H13ClN4O2/c1-19(14(21)12-8-16-6-7-17-12)9-13(20)18-11-4-2-10(15)3-5-11/h2-8H,9H2,1H3,(H,18,20)
InChIKeyAWRBZQGDQUGSFI-UHFFFAOYSA-N
XLogP1.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 9494044
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide
CID 27786711
N-methyl-N-[2-(methylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 47112752
[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate
CID 9196476
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9089274
N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 2454779
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 63679192
trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9417409
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 62729410
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide
CID 17431566

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide (CID 9417366) is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide is CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1cnccn1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is AWRBZQGDQUGSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-19(14(21)12-8-16-6-7-17-12)9-13(20)18-11-4-2-10(15)3-5-11/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 304.74 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 9417366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).