(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide

C21H20ClN3O3 — CID 95369177

IUPAC(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)NCCn1cnc(-c2ccccc2)cc1=O
InChIInChI=1S/C21H20ClN3O3/c1-15(28-19-10-6-5-9-17(19)22)21(27)23-11-12-25-14-24-18(13-20(25)26)16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,23,27)/t15-/m0/s1
InChIKeyFFGGMBTYCZPZHY-HNNXBMFYSA-N
MW397.86 g/mol
LogP3.15
Rot. Bonds7

About (2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide

(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide (PubChem CID 95369177) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
PubChem CID95369177
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
SMILESC[C@H](Oc1ccccc1Cl)C(=O)NCCn1cnc(-c2ccccc2)cc1=O
InChIInChI=1S/C21H20ClN3O3/c1-15(28-19-10-6-5-9-17(19)22)21(27)23-11-12-25-14-24-18(13-20(25)26)16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,23,27)/t15-/m0/s1
InChIKeyFFGGMBTYCZPZHY-HNNXBMFYSA-N
XLogP3.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 90515636
2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
2-(2-fluorophenoxy)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119210
2-(2,4-dichlorophenoxy)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121119555
2-(2-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515630
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-phenoxypropanamide
CID 121119228
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90515888
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 121120140
2-(2-chlorophenoxy)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]propanamide
CID 122280502
2-(3,5-dimethylphenoxy)-N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]propanamide
CID 121106658
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide (CID 95369177) is (2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide is C[C@H](Oc1ccccc1Cl)C(=O)NCCn1cnc(-c2ccccc2)cc1=O.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide?
The InChIKey is FFGGMBTYCZPZHY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-15(28-19-10-6-5-9-17(19)22)21(27)23-11-12-25-14-24-18(13-20(25)26)16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,23,27)/t15-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide?
(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide has a molecular weight of 397.86 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 95369177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).