(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide

C22H19ClN2O3 — CID 7317635

IUPAC(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O)c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-15(16-8-4-2-5-9-16)24-22(28)20(21(27)17-10-6-3-7-11-17)25-14-18(23)12-13-19(25)26/h2-15,20H,1H3,(H,24,28)/t15-,20-/m0/s1
InChIKeyKOWUCHDHQCOKQA-YWZLYKJASA-N
MW394.86 g/mol
LogP3.80
Rot. Bonds6

About (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide

(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 7317635) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
PubChem CID7317635
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O)c1ccccc1
InChIInChI=1S/C22H19ClN2O3/c1-15(16-8-4-2-5-9-16)24-22(28)20(21(27)17-10-6-3-7-11-17)25-14-18(23)12-13-19(25)26/h2-15,20H,1H3,(H,24,28)/t15-,20-/m0/s1
InChIKeyKOWUCHDHQCOKQA-YWZLYKJASA-N
XLogP3.80
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-oxo-1-pyridinyl)-N-(2-methoxyethyl)-3-oxo-3-phenylpropanamide
CID 3973125
2-[[(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenylpropanoyl]amino]ethyl-dimethylazanium
CID 7317027
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-N-[2-(dimethylamino)ethyl]-3-oxo-3-phenylpropanamide
CID 7317030
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-N-cyclohexyl-3-oxo-3-phenylpropanamide
CID 7277060
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
2-(5-chloro-2-oxo-1-pyridinyl)-1-phenyl-3-piperidin-1-ylpropane-1,3-dione
CID 3519572
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
(2S)-2-amino-N-[1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 104897669
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide (CID 7317635) is (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)[C@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O)c1ccccc1.
What is the InChIKey of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is KOWUCHDHQCOKQA-YWZLYKJASA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-15(16-8-4-2-5-9-16)24-22(28)20(21(27)17-10-6-3-7-11-17)25-14-18(23)12-13-19(25)26/h2-15,20H,1H3,(H,24,28)/t15-,20-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide?
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 394.86 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 7317635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).