2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide

C15H16ClN3O — CID 70449024

IUPAC2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
SMILESCc1ccccc1N(Cc1cnccn1)C(=O)C(C)Cl
InChIInChI=1S/C15H16ClN3O/c1-11-5-3-4-6-14(11)19(15(20)12(2)16)10-13-9-17-7-8-18-13/h3-9,12H,10H2,1-2H3
InChIKeyOEHFMGJICPTXHM-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.95
Rot. Bonds4

About 2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide

2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 70449024) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
PubChem CID70449024
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
SMILESCc1ccccc1N(Cc1cnccn1)C(=O)C(C)Cl
InChIInChI=1S/C15H16ClN3O/c1-11-5-3-4-6-14(11)19(15(20)12(2)16)10-13-9-17-7-8-18-13/h3-9,12H,10H2,1-2H3
InChIKeyOEHFMGJICPTXHM-UHFFFAOYSA-N
XLogP2.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide?
The IUPAC name of 2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide (CID 70449024) is 2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide is Cc1ccccc1N(Cc1cnccn1)C(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide?
The InChIKey is OEHFMGJICPTXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-11-5-3-4-6-14(11)19(15(20)12(2)16)10-13-9-17-7-8-18-13/h3-9,12H,10H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide?
2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide has a molecular weight of 289.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 70449024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).