(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide

C21H20ClN3O2 — CID 26395678

IUPAC(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide
SMILESCN(Cc1cnccn1)C(=O)C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-25(14-18-13-23-8-9-24-18)21(27)12-20(15-4-2-6-17(22)10-15)16-5-3-7-19(26)11-16/h2-11,13,20,26H,12,14H2,1H3/t20-/m1/s1
InChIKeyDVGWLZJOWRZTLW-HXUWFJFHSA-N
MW381.86 g/mol
LogP4.02
Rot. Bonds6

About (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide

(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 26395678) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide
PubChem CID26395678
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide
SMILESCN(Cc1cnccn1)C(=O)C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1
InChIInChI=1S/C21H20ClN3O2/c1-25(14-18-13-23-8-9-24-18)21(27)12-20(15-4-2-6-17(22)10-15)16-5-3-7-19(26)11-16/h2-11,13,20,26H,12,14H2,1H3/t20-/m1/s1
InChIKeyDVGWLZJOWRZTLW-HXUWFJFHSA-N
XLogP4.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 25375954
(3S)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 42245901
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42533121
3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 154754970
3-[(1R)-2,2-dimethyl-1-(3-methylphenyl)propyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 97072080
3-(3-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
CID 72842125
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 90651685
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
(3S)-3-(2-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide
CID 42309815
3-(2-chlorophenyl)-N-methyl-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 45210495
2-(3-chlorophenyl)-2-(dimethylamino)-N-pyrazin-2-ylacetamide
CID 167941660
3-(2-chlorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 45250325

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The IUPAC name of (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide (CID 26395678) is (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide is CN(Cc1cnccn1)C(=O)C[C@@H](c1cccc(O)c1)c1cccc(Cl)c1.
What is the InChIKey of (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The InChIKey is DVGWLZJOWRZTLW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-25(14-18-13-23-8-9-24-18)21(27)12-20(15-4-2-6-17(22)10-15)16-5-3-7-19(26)11-16/h2-11,13,20,26H,12,14H2,1H3/t20-/m1/s1.
What are the key properties of (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide?
(3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide has a molecular weight of 381.86 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chlorophenyl)-3-(3-hydroxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 26395678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).