(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C19H18ClFN2O4 — CID 7317913

IUPAC(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C19H18ClFN2O4/c20-13-5-8-16(24)23(11-13)17(18(25)12-3-6-14(21)7-4-12)19(26)22-10-15-2-1-9-27-15/h3-8,11,15,17H,1-2,9-10H2,(H,22,26)/t15-,17+/m0/s1
InChIKeyAGQXPTDSBPGGPE-DOTOQJQBSA-N
MW392.81 g/mol
LogP2.36
Rot. Bonds6

About (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 7317913) has the molecular formula C19H18ClFN2O4 and a molecular weight of 392.81 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID7317913
Molecular FormulaC19H18ClFN2O4
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Name(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C19H18ClFN2O4/c20-13-5-8-16(24)23(11-13)17(18(25)12-3-6-14(21)7-4-12)19(26)22-10-15-2-1-9-27-15/h3-8,11,15,17H,1-2,9-10H2,(H,22,26)/t15-,17+/m0/s1
InChIKeyAGQXPTDSBPGGPE-DOTOQJQBSA-N
XLogP2.36
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-(4-bromophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxo-1-pyridinyl)propanamide
CID 25305379
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3-[[(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxopropanoyl]amino]propyl-diethylazanium
CID 7233778
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 30405119
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
N'-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 30405125
(2R)-2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124568214
1-[(1R)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7443025
1-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7443036
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 18160340
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2,6-difluoro-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 34747399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 7317913) is (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide is O=C(NC[C@@H]1CCCO1)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O.
What is the InChIKey of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is AGQXPTDSBPGGPE-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H18ClFN2O4/c20-13-5-8-16(24)23(11-13)17(18(25)12-3-6-14(21)7-4-12)19(26)22-10-15-2-1-9-27-15/h3-8,11,15,17H,1-2,9-10H2,(H,22,26)/t15-,17+/m0/s1.
What are the key properties of (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 392.81 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 7317913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).