3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide

C21H20ClN3O — CID 45195362

IUPAC3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
SMILESO=C(CC(c1ccccc1)c1ccc(Cl)cc1)NCCc1cnccn1
InChIInChI=1S/C21H20ClN3O/c22-18-8-6-17(7-9-18)20(16-4-2-1-3-5-16)14-21(26)25-11-10-19-15-23-12-13-24-19/h1-9,12-13,15,20H,10-11,14H2,(H,25,26)
InChIKeyPHPCLIPUOMXPAK-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.01
Rot. Bonds7

About 3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide

3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide (PubChem CID 45195362) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
PubChem CID45195362
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
SMILESO=C(CC(c1ccccc1)c1ccc(Cl)cc1)NCCc1cnccn1
InChIInChI=1S/C21H20ClN3O/c22-18-8-6-17(7-9-18)20(16-4-2-1-3-5-16)14-21(26)25-11-10-19-15-23-12-13-24-19/h1-9,12-13,15,20H,10-11,14H2,(H,25,26)
InChIKeyPHPCLIPUOMXPAK-UHFFFAOYSA-N
XLogP4.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 25375954
N-[(4-chlorophenyl)-phenylmethyl]-2-pyrazin-2-ylacetamide
CID 119052114
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyridin-3-ylethyl)propanamide
CID 97283539
(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
CID 25368116
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide
CID 118773901
2-(4-phenylphenyl)-N-(2-pyrazin-2-ylethyl)acetamide
CID 29029737
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 25301507
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
3,3-diphenyl-N-propylpropanamide
CID 4638647
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83289144
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide (CID 45195362) is 3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide is O=C(CC(c1ccccc1)c1ccc(Cl)cc1)NCCc1cnccn1.
What is the InChIKey of 3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide?
The InChIKey is PHPCLIPUOMXPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-18-8-6-17(7-9-18)20(16-4-2-1-3-5-16)14-21(26)25-11-10-19-15-23-12-13-24-19/h1-9,12-13,15,20H,10-11,14H2,(H,25,26).
What are the key properties of 3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide?
3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide has a molecular weight of 365.86 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide is sourced from PubChem (CID 45195362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).