(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide

C19H14ClFN2O4 — CID 7317685

IUPAC(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide
SMILESO=C(NCc1ccco1)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C19H14ClFN2O4/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/h1-9,11,17H,10H2,(H,22,26)/t17-/m0/s1
InChIKeyYUBIEYTUZUVOJI-KRWDZBQOSA-N
MW388.78 g/mol
LogP2.97
Rot. Bonds6

About (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide

(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide (PubChem CID 7317685) has the molecular formula C19H14ClFN2O4 and a molecular weight of 388.78 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide
PubChem CID7317685
Molecular FormulaC19H14ClFN2O4
Molecular Weight388.78 g/mol
Exact Mass388.06
IUPAC Name(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide
SMILESO=C(NCc1ccco1)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O
InChIInChI=1S/C19H14ClFN2O4/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/h1-9,11,17H,10H2,(H,22,26)/t17-/m0/s1
InChIKeyYUBIEYTUZUVOJI-KRWDZBQOSA-N
XLogP2.97
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 52.97
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

2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 3160495
N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014684
5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811176
1-(4-fluorophenyl)-3-(furan-2-ylmethylamino)propan-1-one
CID 94266793
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
CID 110298073
2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663
2-chloro-4-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811664
(2S)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-oxo-2-(2-oxo-1-pyridinyl)propanamide
CID 7324233
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-oxo-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 7317635
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3-(furan-2-yl)propanamide
CID 110296194
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374
2-[[2-(2,5-difluorophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080896

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
The IUPAC name of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide (CID 7317685) is (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide.
What is the SMILES notation for (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
The canonical SMILES for (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide is O=C(NCc1ccco1)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O.
What is the InChIKey of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
The InChIKey is YUBIEYTUZUVOJI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H14ClFN2O4/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/h1-9,11,17H,10H2,(H,22,26)/t17-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
(2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide has a molecular weight of 388.78 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-oxo-1-pyridinyl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide is sourced from PubChem (CID 7317685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).