N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide

C13H12ClN3O — CID 3525684

IUPACN-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide
SMILESCC(=O)N(Cc1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C13H12ClN3O/c1-10(18)17(13-8-15-6-7-16-13)9-11-2-4-12(14)5-3-11/h2-8H,9H2,1H3
InChIKeyUCXWXLSHCSTIFY-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.68
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide

N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide (PubChem CID 3525684) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide
PubChem CID3525684
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide
SMILESCC(=O)N(Cc1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C13H12ClN3O/c1-10(18)17(13-8-15-6-7-16-13)9-11-2-4-12(14)5-3-11/h2-8H,9H2,1H3
InChIKeyUCXWXLSHCSTIFY-UHFFFAOYSA-N
XLogP2.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4563418
N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3224181
N-[(4-chlorophenyl)methyl]pyrazin-2-amine
CID 3849617
4-chloro-N-pyrazin-2-ylbenzamide
CID 2799831
1-[(4-Chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
CID 137348834
1-Pyrazin-2-yl-piperidine-4-carboxylic acid [2-(4-chloro-phenyl)-ethyl]-amide
CID 651219
(E)-3-(4-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 5676813
Heme Oxygenase-1-IN-2
CID 162640598
N-(4-chlorobenzyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3588381
N-(4-chlorobenzyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607861
(4-Chlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 41812157
rac-2-(4-chlorophenyl)-3-methyl-N-(pyrazin-2-yl)butanamide
CID 46226160

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide (CID 3525684) is N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide is CC(=O)N(Cc1ccc(Cl)cc1)c1cnccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide?
The InChIKey is UCXWXLSHCSTIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-10(18)17(13-8-15-6-7-16-13)9-11-2-4-12(14)5-3-11/h2-8H,9H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide?
N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide has a molecular weight of 261.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 3525684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).