N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide

C17H20ClN3O — CID 74827168

IUPACN-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)NC(C)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C17H20ClN3O/c1-11(2)14-6-4-13(5-7-14)8-17(22)21-12(3)15-9-20-16(18)10-19-15/h4-7,9-12H,8H2,1-3H3,(H,21,22)
InChIKeyIWFWGCRCGAJIGC-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.67
Rot. Bonds5

About N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide

N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 74827168) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID74827168
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)NC(C)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C17H20ClN3O/c1-11(2)14-6-4-13(5-7-14)8-17(22)21-12(3)15-9-20-16(18)10-19-15/h4-7,9-12H,8H2,1-3H3,(H,21,22)
InChIKeyIWFWGCRCGAJIGC-UHFFFAOYSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 76655354
2-(4-propan-2-ylphenyl)-N-[(1R)-1-[5-(1H-pyrazol-4-yl)-2-pyridinyl]ethyl]acetamide
CID 24764921
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 43297476
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
methyl 4-[2-[[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]amino]-2-oxoethyl]benzoate
CID 53321010
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
3-(5-chloropyrazin-2-yl)butanoic acid
CID 83831777
2-phenyl-N-[[(2-phenylacetyl)amino]-(4-propan-2-ylphenyl)methyl]acetamide
CID 71459141
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide (CID 74827168) is N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)NC(C)c2cnc(Cl)cn2)cc1.
What is the InChIKey of N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is IWFWGCRCGAJIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11(2)14-6-4-13(5-7-14)8-17(22)21-12(3)15-9-20-16(18)10-19-15/h4-7,9-12H,8H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide?
N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloropyrazin-2-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 74827168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).