2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide

C15H15Cl2N3O — CID 146086024

IUPAC2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide
SMILESCC(Cl)C(=O)N(C)C(c1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C15H15Cl2N3O/c1-10(16)15(21)20(2)14(13-9-18-7-8-19-13)11-3-5-12(17)6-4-11/h3-10,14H,1-2H3
InChIKeyAIOKMJKRSYFHCV-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.31
Rot. Bonds4

About 2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide

2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide (PubChem CID 146086024) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide
PubChem CID146086024
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide
SMILESCC(Cl)C(=O)N(C)C(c1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C15H15Cl2N3O/c1-10(16)15(21)20(2)14(13-9-18-7-8-19-13)11-3-5-12(17)6-4-11/h3-10,14H,1-2H3
InChIKeyAIOKMJKRSYFHCV-UHFFFAOYSA-N
XLogP3.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpent-4-enamide
CID 97222002
N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide
CID 75424625
N-[(4-fluorophenyl)-pyrazin-2-ylmethyl]-N-methylprop-2-enamide
CID 165351494
2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide
CID 46226160
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 120753056
1-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)-1-pyrazin-2-ylmethanamine;hydrochloride
CID 120850111
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
1-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-1-methyl-3-[2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 95765356
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 62627629
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
(2S)-2-(4-chlorophenyl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide
CID 46225340
2-amino-N-methyl-N-[(1R)-1-pyrazin-2-ylethyl]acetamide
CID 96555406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide (CID 146086024) is 2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide is CC(Cl)C(=O)N(C)C(c1ccc(Cl)cc1)c1cnccn1.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide?
The InChIKey is AIOKMJKRSYFHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-10(16)15(21)20(2)14(13-9-18-7-8-19-13)11-3-5-12(17)6-4-11/h3-10,14H,1-2H3.
What are the key properties of 2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide?
2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide has a molecular weight of 324.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methylpropanamide is sourced from PubChem (CID 146086024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).